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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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/25bp-f1290b3c/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/25bp-f1290b3c/inputs/seq.fa: 2
curr_seq: _AUAAGUUACAAUUGCGGAUGCGCCGAA_
curr_seq: _UAUUCAAUGUUAACGCCUACGCGGCAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AUAAGUUACAAUUGCGGAUGCGCCGAA
chainId: B, chainSeq: UAUUCAAUGUUAACGCCUACGCGGCAA
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 27 nucleotides
chain B contains 27 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: 280
n_atoms_counter: 280
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 54.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 54.000000 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: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -186.088395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088395 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -210.950710
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 32.446 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -296.080242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.080242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.080242 (E_RNA)
where:
Base-Base interactions energy: -124.068
where: short stacking energy: -124.068
Base-Backbone interact. energy: -0.009
local terms energy: -172.002744
where:
bonds (distance) C4'-P energy: -37.972
bonds (distance) P-C4' energy: -39.095
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -37.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -268.080443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.080443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.080443 (E_RNA)
where:
Base-Base interactions energy: -115.706
where: short stacking energy: -97.698
Base-Backbone interact. energy: -0.116
local terms energy: -152.258709
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -36.796
flat angles C4'-P-C4' energy: -36.887
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -17.501
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -253.509284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.509284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.509284 (E_RNA)
where:
Base-Base interactions energy: -106.200
where: short stacking energy: -105.530
Base-Backbone interact. energy: 0.688
local terms energy: -147.997549
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -257.436481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.436481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.436481 (E_RNA)
where:
Base-Base interactions energy: -104.867
where: short stacking energy: -103.888
Base-Backbone interact. energy: -0.121
local terms energy: -152.448381
where:
bonds (distance) C4'-P energy: -31.693
bonds (distance) P-C4' energy: -37.411
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -29.083
tors. eta vs tors. theta energy: -20.182
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -224.264016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.264016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.264016 (E_RNA)
where:
Base-Base interactions energy: -95.798
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.190
local terms energy: -128.275758
where:
bonds (distance) C4'-P energy: -34.210
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -7.346
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -216.579788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.579788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.579788 (E_RNA)
where:
Base-Base interactions energy: -88.352
where: short stacking energy: -84.021
Base-Backbone interact. energy: -0.510
local terms energy: -127.717095
where:
bonds (distance) C4'-P energy: -31.003
bonds (distance) P-C4' energy: -37.731
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -12.188
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -200.736227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.736227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.736227 (E_RNA)
where:
Base-Base interactions energy: -66.150
where: short stacking energy: -61.347
Base-Backbone interact. energy: -0.134
local terms energy: -134.452119
where:
bonds (distance) C4'-P energy: -39.303
bonds (distance) P-C4' energy: -38.006
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -11.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -186.077708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.077708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.077708 (E_RNA)
where:
Base-Base interactions energy: -8.453
where: short stacking energy: -8.453
Base-Backbone interact. energy: -0.000
local terms energy: -209.082475
where:
bonds (distance) C4'-P energy: -51.824
bonds (distance) P-C4' energy: -49.833
flat angles C4'-P-C4' energy: -38.921
flat angles P-C4'-P energy: -45.234
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 31.458 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -186.552050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.552050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.552050 (E_RNA)
where:
Base-Base interactions energy: -8.882
where: short stacking energy: -8.882
Base-Backbone interact. energy: -0.000
local terms energy: -209.119717
where:
bonds (distance) C4'-P energy: -51.824
bonds (distance) P-C4' energy: -49.833
flat angles C4'-P-C4' energy: -38.921
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 31.450 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -186.371938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.371938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.371938 (E_RNA)
where:
Base-Base interactions energy: -8.552
where: short stacking energy: -8.552
Base-Backbone interact. energy: -0.000
local terms energy: -209.262174
where:
bonds (distance) C4'-P energy: -51.824
bonds (distance) P-C4' energy: -49.833
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 31.442 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -298.310727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.310727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.310727 (E_RNA)
where:
Base-Base interactions energy: -142.437
where: short stacking energy: -120.272
Base-Backbone interact. energy: -0.530
local terms energy: -155.343417
where:
bonds (distance) C4'-P energy: -34.223
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -34.855
flat angles P-C4'-P energy: -23.547
tors. eta vs tors. theta energy: -27.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -309.271481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.271481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.271481 (E_RNA)
where:
Base-Base interactions energy: -146.724
where: short stacking energy: -89.454
Base-Backbone interact. energy: 0.411
local terms energy: -162.957647
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -22.900
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: 3
Temperature: 1.000000
Total energy: -252.771121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.771121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.771121 (E_RNA)
where:
Base-Base interactions energy: -119.563
where: short stacking energy: -95.939
Base-Backbone interact. energy: 0.737
local terms energy: -133.946652
where:
bonds (distance) C4'-P energy: -37.571
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -33.226
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.002 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -235.252164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.252164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.252164 (E_RNA)
where:
Base-Base interactions energy: -104.751
where: short stacking energy: -78.637
Base-Backbone interact. energy: -0.392
local terms energy: -130.109607
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -28.958
flat angles C4'-P-C4' energy: -27.712
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -260.526980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.526980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.526980 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -93.032
Base-Backbone interact. energy: -0.365
local terms energy: -134.281571
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -37.134
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.298 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -279.202091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.202091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.202091 (E_RNA)
where:
Base-Base interactions energy: -147.751
where: short stacking energy: -82.633
Base-Backbone interact. energy: -0.247
local terms energy: -131.203619
where:
bonds (distance) C4'-P energy: -37.808
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -184.208321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.208321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.208321 (E_RNA)
where:
Base-Base interactions energy: -71.984
where: short stacking energy: -57.596
Base-Backbone interact. energy: -0.391
local terms energy: -111.833212
where:
bonds (distance) C4'-P energy: -35.192
bonds (distance) P-C4' energy: -31.082
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: 3.615
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -176.827227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.827227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.827227 (E_RNA)
where:
Base-Base interactions energy: -64.658
where: short stacking energy: -65.874
Base-Backbone interact. energy: -0.429
local terms energy: -111.739953
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -29.630
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -6.469
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -176.419353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.419353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.419353 (E_RNA)
where:
Base-Base interactions energy: -66.884
where: short stacking energy: -53.961
Base-Backbone interact. energy: 1.147
local terms energy: -110.681891
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -162.123393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.123393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.123393 (E_RNA)
where:
Base-Base interactions energy: -59.426
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.841
local terms energy: -101.856094
where:
bonds (distance) C4'-P energy: -35.485
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: 0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -320.470485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.470485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.470485 (E_RNA)
where:
Base-Base interactions energy: -160.739
where: short stacking energy: -115.141
Base-Backbone interact. energy: -0.215
local terms energy: -159.733065
where:
bonds (distance) C4'-P energy: -34.730
bonds (distance) P-C4' energy: -38.466
flat angles C4'-P-C4' energy: -33.286
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.217 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -319.107622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.107622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.107622 (E_RNA)
where:
Base-Base interactions energy: -162.213
where: short stacking energy: -114.514
Base-Backbone interact. energy: -0.131
local terms energy: -156.763759
where:
bonds (distance) C4'-P energy: -35.197
bonds (distance) P-C4' energy: -34.965
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: -26.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -272.701480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.701480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.701480 (E_RNA)
where:
Base-Base interactions energy: -138.915
where: short stacking energy: -99.567
Base-Backbone interact. energy: 2.031
local terms energy: -135.817970
where:
bonds (distance) C4'-P energy: -33.238
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -27.340
tors. eta vs tors. theta energy: -15.193
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: 4
Temperature: 1.050000
Total energy: -255.194098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.194098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.194098 (E_RNA)
where:
Base-Base interactions energy: -119.030
where: short stacking energy: -88.648
Base-Backbone interact. energy: -0.178
local terms energy: -135.986699
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -37.483
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -22.836
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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -335.921212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.921212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.921212 (E_RNA)
where:
Base-Base interactions energy: -193.661
where: short stacking energy: -102.502
Base-Backbone interact. energy: -0.612
local terms energy: -141.648307
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -25.504
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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -264.419610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.419610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.419610 (E_RNA)
where:
Base-Base interactions energy: -139.748
where: short stacking energy: -92.824
Base-Backbone interact. energy: -1.466
local terms energy: -123.205592
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -36.433
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -187.004760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.004760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.004760 (E_RNA)
where:
Base-Base interactions energy: -73.208
where: short stacking energy: -61.356
Base-Backbone interact. energy: 0.465
local terms energy: -114.261111
where:
bonds (distance) C4'-P energy: -27.721
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -184.006732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.006732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.006732 (E_RNA)
where:
Base-Base interactions energy: -66.429
where: short stacking energy: -56.403
Base-Backbone interact. energy: -0.399
local terms energy: -117.178769
where:
bonds (distance) C4'-P energy: -33.578
bonds (distance) P-C4' energy: -34.192
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -192.856679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.856679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.856679 (E_RNA)
where:
Base-Base interactions energy: -88.488
where: short stacking energy: -66.989
Base-Backbone interact. energy: -0.455
local terms energy: -103.914401
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -162.591949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.591949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.591949 (E_RNA)
where:
Base-Base interactions energy: -66.857
where: short stacking energy: -40.189
Base-Backbone interact. energy: -1.046
local terms energy: -94.688926
where:
bonds (distance) C4'-P energy: -29.231
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: 5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -331.767351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.767351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.767351 (E_RNA)
where:
Base-Base interactions energy: -164.450
where: short stacking energy: -126.607
Base-Backbone interact. energy: -0.088
local terms energy: -167.229321
where:
bonds (distance) C4'-P energy: -34.509
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -41.132
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -32.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -342.232713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.232713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.232713 (E_RNA)
where:
Base-Base interactions energy: -189.668
where: short stacking energy: -113.388
Base-Backbone interact. energy: -0.420
local terms energy: -152.144336
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -35.122
flat angles P-C4'-P energy: -24.052
tors. eta vs tors. theta energy: -25.166
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: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -313.382514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.382514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.382514 (E_RNA)
where:
Base-Base interactions energy: -169.676
where: short stacking energy: -91.508
Base-Backbone interact. energy: 0.283
local terms energy: -143.989070
where:
bonds (distance) C4'-P energy: -38.139
bonds (distance) P-C4' energy: -38.219
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -333.036120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.036120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.036120 (E_RNA)
where:
Base-Base interactions energy: -199.514
where: short stacking energy: -91.832
Base-Backbone interact. energy: -1.535
local terms energy: -131.987958
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -246.237908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.237908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.237908 (E_RNA)
where:
Base-Base interactions energy: -103.127
where: short stacking energy: -88.748
Base-Backbone interact. energy: -1.096
local terms energy: -142.014564
where:
bonds (distance) C4'-P energy: -33.196
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -32.598
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -269.252894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.252894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.252894 (E_RNA)
where:
Base-Base interactions energy: -146.782
where: short stacking energy: -98.390
Base-Backbone interact. energy: -0.198
local terms energy: -122.273731
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -35.779
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -249.983077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.983077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.983077 (E_RNA)
where:
Base-Base interactions energy: -110.539
where: short stacking energy: -77.095
Base-Backbone interact. energy: -0.468
local terms energy: -138.976281
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -187.513452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.513452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.513452 (E_RNA)
where:
Base-Base interactions energy: -69.249
where: short stacking energy: -60.590
Base-Backbone interact. energy: 0.508
local terms energy: -118.771799
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -32.698
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -187.679460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.679460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.679460 (E_RNA)
where:
Base-Base interactions energy: -81.793
where: short stacking energy: -63.508
Base-Backbone interact. energy: -0.336
local terms energy: -105.550962
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -162.251802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.251802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.251802 (E_RNA)
where:
Base-Base interactions energy: -59.215
where: short stacking energy: -52.760
Base-Backbone interact. energy: -0.567
local terms energy: -102.469654
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -17.020
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)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -361.714475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.714475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.714475 (E_RNA)
where:
Base-Base interactions energy: -206.002
where: short stacking energy: -141.761
Base-Backbone interact. energy: -0.919
local terms energy: -154.794235
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -33.175
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -305.454889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.454889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.454889 (E_RNA)
where:
Base-Base interactions energy: -159.050
where: short stacking energy: -108.436
Base-Backbone interact. energy: -0.331
local terms energy: -146.073939
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -35.762
flat angles C4'-P-C4' energy: -40.226
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -357.480572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.480572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.480572 (E_RNA)
where:
Base-Base interactions energy: -211.196
where: short stacking energy: -114.677
Base-Backbone interact. energy: -0.211
local terms energy: -146.074316
where:
bonds (distance) C4'-P energy: -34.480
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -36.792
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -289.513242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.513242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.513242 (E_RNA)
where:
Base-Base interactions energy: -143.436
where: short stacking energy: -118.728
Base-Backbone interact. energy: -0.848
local terms energy: -145.229007
where:
bonds (distance) C4'-P energy: -35.523
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -284.623622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.623622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.623622 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -80.573
Base-Backbone interact. energy: -3.225
local terms energy: -134.358315
where:
bonds (distance) C4'-P energy: -32.906
bonds (distance) P-C4' energy: -40.538
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -19.647
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: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -240.598240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.598240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.598240 (E_RNA)
where:
Base-Base interactions energy: -96.566
where: short stacking energy: -67.933
Base-Backbone interact. energy: -1.062
local terms energy: -142.970801
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -27.908
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: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -218.009950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.009950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.009950 (E_RNA)
where:
Base-Base interactions energy: -95.276
where: short stacking energy: -72.940
Base-Backbone interact. energy: -0.181
local terms energy: -123.937852
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -34.524
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.385 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -185.846893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.846893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.846893 (E_RNA)
where:
Base-Base interactions energy: -79.315
where: short stacking energy: -69.149
Base-Backbone interact. energy: 2.236
local terms energy: -108.768733
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -172.547522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.547522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.547522 (E_RNA)
where:
Base-Base interactions energy: -70.541
where: short stacking energy: -37.410
Base-Backbone interact. energy: -1.013
local terms energy: -100.992653
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -39.181
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: 9.478
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: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -158.595678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.595678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.595678 (E_RNA)
where:
Base-Base interactions energy: -55.486
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.607
local terms energy: -102.503030
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: 6.162
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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -345.787273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.787273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.787273 (E_RNA)
where:
Base-Base interactions energy: -182.739
where: short stacking energy: -118.284
Base-Backbone interact. energy: 0.136
local terms energy: -163.185238
where:
bonds (distance) C4'-P energy: -37.158
bonds (distance) P-C4' energy: -42.777
flat angles C4'-P-C4' energy: -31.106
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -23.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -365.176265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.176265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.176265 (E_RNA)
where:
Base-Base interactions energy: -220.338
where: short stacking energy: -102.394
Base-Backbone interact. energy: -0.375
local terms energy: -144.463514
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -40.577
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -27.814
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -315.836251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.836251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.836251 (E_RNA)
where:
Base-Base interactions energy: -189.600
where: short stacking energy: -104.374
Base-Backbone interact. energy: -0.069
local terms energy: -126.167260
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -7.674
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: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -305.961242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.961242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.961242 (E_RNA)
where:
Base-Base interactions energy: -176.856
where: short stacking energy: -97.282
Base-Backbone interact. energy: -0.916
local terms energy: -128.189370
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -269.045621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.045621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.045621 (E_RNA)
where:
Base-Base interactions energy: -131.832
where: short stacking energy: -76.124
Base-Backbone interact. energy: -0.313
local terms energy: -139.338966
where:
bonds (distance) C4'-P energy: -35.659
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -37.452
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.438 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -242.816818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.816818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.816818 (E_RNA)
where:
Base-Base interactions energy: -117.228
where: short stacking energy: -64.136
Base-Backbone interact. energy: -0.655
local terms energy: -124.933631
where:
bonds (distance) C4'-P energy: -33.793
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -37.150
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -3.099
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: 7
Temperature: 1.200000
Total energy: -200.655327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.655327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.655327 (E_RNA)
where:
Base-Base interactions energy: -82.382
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.480
local terms energy: -117.793148
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -180.301662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.301662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.301662 (E_RNA)
where:
Base-Base interactions energy: -70.502
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.276
local terms energy: -109.523751
where:
bonds (distance) C4'-P energy: -40.303
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: 2.736
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: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -215.055304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.055304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.055304 (E_RNA)
where:
Base-Base interactions energy: -96.960
where: short stacking energy: -50.489
Base-Backbone interact. energy: -0.501
local terms energy: -117.594458
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -15.297
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: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -171.247203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.247203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.247203 (E_RNA)
where:
Base-Base interactions energy: -67.636
where: short stacking energy: -43.764
Base-Backbone interact. energy: 3.341
local terms energy: -106.952187
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -34.477
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: 0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -423.025445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.025445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.025445 (E_RNA)
where:
Base-Base interactions energy: -263.953
where: short stacking energy: -118.556
Base-Backbone interact. energy: -0.472
local terms energy: -158.601197
where:
bonds (distance) C4'-P energy: -30.372
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -27.029
tors. eta vs tors. theta energy: -27.789
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: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -322.725043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.725043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.725043 (E_RNA)
where:
Base-Base interactions energy: -171.087
where: short stacking energy: -107.223
Base-Backbone interact. energy: -0.048
local terms energy: -151.589866
where:
bonds (distance) C4'-P energy: -36.254
bonds (distance) P-C4' energy: -39.698
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -364.555361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.555361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.555361 (E_RNA)
where:
Base-Base interactions energy: -213.029
where: short stacking energy: -118.665
Base-Backbone interact. energy: -0.652
local terms energy: -150.873910
where:
bonds (distance) C4'-P energy: -32.886
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -32.323
flat angles P-C4'-P energy: -15.855
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: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -317.255319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.255319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.255319 (E_RNA)
where:
Base-Base interactions energy: -184.316
where: short stacking energy: -112.052
Base-Backbone interact. energy: -0.531
local terms energy: -132.408422
where:
bonds (distance) C4'-P energy: -34.215
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -32.850
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -272.327084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.327084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.327084 (E_RNA)
where:
Base-Base interactions energy: -145.804
where: short stacking energy: -88.174
Base-Backbone interact. energy: -0.615
local terms energy: -125.907428
where:
bonds (distance) C4'-P energy: -29.962
bonds (distance) P-C4' energy: -40.277
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -14.117
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: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -251.792904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.792904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.792904 (E_RNA)
where:
Base-Base interactions energy: -111.504
where: short stacking energy: -73.204
Base-Backbone interact. energy: -1.275
local terms energy: -139.013735
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -227.392656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.392656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.392656 (E_RNA)
where:
Base-Base interactions energy: -122.509
where: short stacking energy: -69.630
Base-Backbone interact. energy: -0.221
local terms energy: -106.468433
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: 7.187
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: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -187.743949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.743949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.743949 (E_RNA)
where:
Base-Base interactions energy: -66.461
where: short stacking energy: -57.946
Base-Backbone interact. energy: -0.373
local terms energy: -120.909505
where:
bonds (distance) C4'-P energy: -32.159
bonds (distance) P-C4' energy: -36.622
flat angles C4'-P-C4' energy: -31.844
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: 0.365
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: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -252.745831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.745831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.745831 (E_RNA)
where:
Base-Base interactions energy: -133.618
where: short stacking energy: -82.011
Base-Backbone interact. energy: 0.340
local terms energy: -119.468316
where:
bonds (distance) C4'-P energy: -26.207
bonds (distance) P-C4' energy: -33.012
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -171.385995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.385995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.385995 (E_RNA)
where:
Base-Base interactions energy: -61.174
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.258
local terms energy: -109.954369
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -4.333
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: 1, replica: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -468.167855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.167855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.167855 (E_RNA)
where:
Base-Base interactions energy: -308.540
where: short stacking energy: -141.246
Base-Backbone interact. energy: -0.569
local terms energy: -159.058655
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -33.909
flat angles C4'-P-C4' energy: -37.624
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -30.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -444.673968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.673968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.673968 (E_RNA)
where:
Base-Base interactions energy: -277.609
where: short stacking energy: -155.341
Base-Backbone interact. energy: 1.072
local terms energy: -168.318073
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -30.656
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -36.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.181 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -353.256093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.256093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.256093 (E_RNA)
where:
Base-Base interactions energy: -216.078
where: short stacking energy: -99.478
Base-Backbone interact. energy: -0.547
local terms energy: -136.630571
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -38.516
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -299.591087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.591087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.591087 (E_RNA)
where:
Base-Base interactions energy: -155.523
where: short stacking energy: -97.595
Base-Backbone interact. energy: -0.153
local terms energy: -144.633934
where:
bonds (distance) C4'-P energy: -33.025
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.718 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -316.648968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.648968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.648968 (E_RNA)
where:
Base-Base interactions energy: -179.630
where: short stacking energy: -90.483
Base-Backbone interact. energy: -0.536
local terms energy: -136.483510
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: -13.541
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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -255.122961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.122961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.122961 (E_RNA)
where:
Base-Base interactions energy: -142.093
where: short stacking energy: -83.307
Base-Backbone interact. energy: -0.155
local terms energy: -112.875273
where:
bonds (distance) C4'-P energy: -28.590
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -36.750
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -220.534674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.534674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.534674 (E_RNA)
where:
Base-Base interactions energy: -107.941
where: short stacking energy: -62.654
Base-Backbone interact. energy: -0.837
local terms energy: -111.756457
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -34.611
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -238.456450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.456450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.456450 (E_RNA)
where:
Base-Base interactions energy: -109.225
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.516
local terms energy: -128.714914
where:
bonds (distance) C4'-P energy: -35.249
bonds (distance) P-C4' energy: -30.516
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -10.872
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: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -211.730025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.730025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.730025 (E_RNA)
where:
Base-Base interactions energy: -105.189
where: short stacking energy: -52.853
Base-Backbone interact. energy: -0.810
local terms energy: -105.731959
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -33.544
flat angles C4'-P-C4' energy: -28.251
flat angles P-C4'-P energy: -21.623
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: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -162.296371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.296371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.296371 (E_RNA)
where:
Base-Base interactions energy: -48.853
where: short stacking energy: -44.317
Base-Backbone interact. energy: 1.716
local terms energy: -115.159022
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -35.018
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: 0.056
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: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -443.664535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.664535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.664535 (E_RNA)
where:
Base-Base interactions energy: -290.123
where: short stacking energy: -137.830
Base-Backbone interact. energy: 0.290
local terms energy: -154.182441
where:
bonds (distance) C4'-P energy: -36.353
bonds (distance) P-C4' energy: -36.326
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.351 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -458.059200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.059200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.059200 (E_RNA)
where:
Base-Base interactions energy: -291.329
where: short stacking energy: -145.162
Base-Backbone interact. energy: -0.523
local terms energy: -166.207698
where:
bonds (distance) C4'-P energy: -25.899
bonds (distance) P-C4' energy: -35.983
flat angles C4'-P-C4' energy: -39.547
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -33.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -347.670174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.670174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.670174 (E_RNA)
where:
Base-Base interactions energy: -200.625
where: short stacking energy: -102.568
Base-Backbone interact. energy: -0.321
local terms energy: -146.724379
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -312.572069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.572069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.572069 (E_RNA)
where:
Base-Base interactions energy: -180.651
where: short stacking energy: -104.936
Base-Backbone interact. energy: 3.173
local terms energy: -135.094103
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -18.106
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: 10
Temperature: 1.100000
Total energy: -299.063309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.063309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.063309 (E_RNA)
where:
Base-Base interactions energy: -153.123
where: short stacking energy: -100.799
Base-Backbone interact. energy: -1.441
local terms energy: -144.498896
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -36.080
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -293.498359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.498359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.498359 (E_RNA)
where:
Base-Base interactions energy: -159.354
where: short stacking energy: -80.729
Base-Backbone interact. energy: -0.774
local terms energy: -133.370542
where:
bonds (distance) C4'-P energy: -26.610
bonds (distance) P-C4' energy: -31.475
flat angles C4'-P-C4' energy: -33.184
flat angles P-C4'-P energy: -22.569
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -255.878104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.878104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.878104 (E_RNA)
where:
Base-Base interactions energy: -135.726
where: short stacking energy: -86.820
Base-Backbone interact. energy: 1.525
local terms energy: -121.676816
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -188.646863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.646863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.646863 (E_RNA)
where:
Base-Base interactions energy: -69.411
where: short stacking energy: -56.676
Base-Backbone interact. energy: -0.501
local terms energy: -118.735488
where:
bonds (distance) C4'-P energy: -37.248
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -166.006196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.006196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.006196 (E_RNA)
where:
Base-Base interactions energy: -53.265
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.595
local terms energy: -114.100787
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -43.536
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.955 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -196.389528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.389528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.389528 (E_RNA)
where:
Base-Base interactions energy: -82.404
where: short stacking energy: -50.477
Base-Backbone interact. energy: -1.233
local terms energy: -112.753226
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -35.201
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: 2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -456.640129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.640129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.640129 (E_RNA)
where:
Base-Base interactions energy: -290.151
where: short stacking energy: -120.779
Base-Backbone interact. energy: -0.845
local terms energy: -165.645069
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -39.730
flat angles C4'-P-C4' energy: -35.984
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -37.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -454.585218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.585218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.585218 (E_RNA)
where:
Base-Base interactions energy: -293.634
where: short stacking energy: -152.026
Base-Backbone interact. energy: -0.205
local terms energy: -160.746844
where:
bonds (distance) C4'-P energy: -31.250
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -40.292
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -33.949
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -367.503620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.503620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.503620 (E_RNA)
where:
Base-Base interactions energy: -225.002
where: short stacking energy: -102.765
Base-Backbone interact. energy: -2.407
local terms energy: -140.094961
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -330.625798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.625798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.625798 (E_RNA)
where:
Base-Base interactions energy: -181.722
where: short stacking energy: -107.182
Base-Backbone interact. energy: -0.804
local terms energy: -148.099910
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -18.724
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: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -336.948108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.948108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.948108 (E_RNA)
where:
Base-Base interactions energy: -210.694
where: short stacking energy: -106.877
Base-Backbone interact. energy: 0.883
local terms energy: -127.137193
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -35.102
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -280.770993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.770993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.770993 (E_RNA)
where:
Base-Base interactions energy: -140.440
where: short stacking energy: -95.343
Base-Backbone interact. energy: -0.975
local terms energy: -139.356613
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -37.225
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -17.391
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: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -238.522138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.522138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.522138 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -87.603
Base-Backbone interact. energy: -0.851
local terms energy: -94.535650
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -9.454
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: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -207.270529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.270529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.270529 (E_RNA)
where:
Base-Base interactions energy: -115.629
where: short stacking energy: -62.909
Base-Backbone interact. energy: -1.181
local terms energy: -90.969965
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -12.561
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: 0.509 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -241.731154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.731154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.731154 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -77.514
Base-Backbone interact. energy: -2.138
local terms energy: -103.930087
where:
bonds (distance) C4'-P energy: -29.073
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.102 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -213.830627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.830627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.830627 (E_RNA)
where:
Base-Base interactions energy: -109.064
where: short stacking energy: -50.665
Base-Backbone interact. energy: 0.683
local terms energy: -105.449006
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -16.146
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: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -492.974610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.974610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.974610 (E_RNA)
where:
Base-Base interactions energy: -322.058
where: short stacking energy: -150.753
Base-Backbone interact. energy: -1.979
local terms energy: -168.937951
where:
bonds (distance) C4'-P energy: -38.185
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -38.992
flat angles P-C4'-P energy: -26.734
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: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -455.084067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.084067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.084067 (E_RNA)
where:
Base-Base interactions energy: -288.032
where: short stacking energy: -139.593
Base-Backbone interact. energy: -0.703
local terms energy: -166.349012
where:
bonds (distance) C4'-P energy: -38.900
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -34.591
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: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -393.456282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.456282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.456282 (E_RNA)
where:
Base-Base interactions energy: -233.350
where: short stacking energy: -115.556
Base-Backbone interact. energy: -0.139
local terms energy: -159.999039
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -25.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.032 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -391.858376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.858376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.858376 (E_RNA)
where:
Base-Base interactions energy: -259.020
where: short stacking energy: -106.709
Base-Backbone interact. energy: 0.041
local terms energy: -132.879498
where:
bonds (distance) C4'-P energy: -27.805
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -19.719
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: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -363.545758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.545758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.545758 (E_RNA)
where:
Base-Base interactions energy: -219.025
where: short stacking energy: -80.378
Base-Backbone interact. energy: -0.136
local terms energy: -144.385342
where:
bonds (distance) C4'-P energy: -30.572
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -35.717
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -256.635037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.635037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.635037 (E_RNA)
where:
Base-Base interactions energy: -138.505
where: short stacking energy: -93.180
Base-Backbone interact. energy: 3.937
local terms energy: -122.066539
where:
bonds (distance) C4'-P energy: -31.125
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -34.360
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -254.896757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.896757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.896757 (E_RNA)
where:
Base-Base interactions energy: -122.124
where: short stacking energy: -65.200
Base-Backbone interact. energy: -2.036
local terms energy: -130.736489
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -15.925
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: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -218.125587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.125587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.125587 (E_RNA)
where:
Base-Base interactions energy: -89.005
where: short stacking energy: -49.915
Base-Backbone interact. energy: -1.182
local terms energy: -127.938018
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -37.926
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -253.215224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.215224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.215224 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -53.088
Base-Backbone interact. energy: -0.374
local terms energy: -130.683953
where:
bonds (distance) C4'-P energy: -31.015
bonds (distance) P-C4' energy: -35.371
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -213.472974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.472974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.472974 (E_RNA)
where:
Base-Base interactions energy: -105.313
where: short stacking energy: -51.647
Base-Backbone interact. energy: -0.704
local terms energy: -108.279905
where:
bonds (distance) C4'-P energy: -28.590
bonds (distance) P-C4' energy: -40.206
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: 2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.824 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -481.208358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.208358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.208358 (E_RNA)
where:
Base-Base interactions energy: -308.095
where: short stacking energy: -142.831
Base-Backbone interact. energy: -0.434
local terms energy: -172.679784
where:
bonds (distance) C4'-P energy: -38.076
bonds (distance) P-C4' energy: -40.606
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -27.869
tors. eta vs tors. theta energy: -29.942
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: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -465.319694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.319694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.319694 (E_RNA)
where:
Base-Base interactions energy: -302.862
where: short stacking energy: -145.476
Base-Backbone interact. energy: 0.893
local terms energy: -163.349940
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -41.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -400.780351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.780351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.780351 (E_RNA)
where:
Base-Base interactions energy: -242.966
where: short stacking energy: -115.797
Base-Backbone interact. energy: -1.594
local terms energy: -156.220113
where:
bonds (distance) C4'-P energy: -31.664
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -27.182
tors. eta vs tors. theta energy: -24.758
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -432.057187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.057187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.057187 (E_RNA)
where:
Base-Base interactions energy: -278.527
where: short stacking energy: -122.510
Base-Backbone interact. energy: 0.877
local terms energy: -154.406636
where:
bonds (distance) C4'-P energy: -37.257
bonds (distance) P-C4' energy: -31.633
flat angles C4'-P-C4' energy: -34.971
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -29.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -356.166922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.166922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.166922 (E_RNA)
where:
Base-Base interactions energy: -212.915
where: short stacking energy: -100.989
Base-Backbone interact. energy: -0.137
local terms energy: -143.114415
where:
bonds (distance) C4'-P energy: -31.626
bonds (distance) P-C4' energy: -36.961
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -261.168346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.168346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.168346 (E_RNA)
where:
Base-Base interactions energy: -138.594
where: short stacking energy: -81.166
Base-Backbone interact. energy: 0.090
local terms energy: -122.664430
where:
bonds (distance) C4'-P energy: -29.129
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -10.427
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: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -261.207107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.207107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.207107 (E_RNA)
where:
Base-Base interactions energy: -121.492
where: short stacking energy: -69.154
Base-Backbone interact. energy: -0.141
local terms energy: -139.573549
where:
bonds (distance) C4'-P energy: -36.954
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -35.463
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -254.641778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.641778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.641778 (E_RNA)
where:
Base-Base interactions energy: -147.466
where: short stacking energy: -62.983
Base-Backbone interact. energy: 1.071
local terms energy: -108.247243
where:
bonds (distance) C4'-P energy: -30.788
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -0.804
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: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -190.034290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.034290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.034290 (E_RNA)
where:
Base-Base interactions energy: -79.602
where: short stacking energy: -37.440
Base-Backbone interact. energy: -0.516
local terms energy: -109.917194
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -40.468
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -198.029172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.029172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.029172 (E_RNA)
where:
Base-Base interactions energy: -110.086
where: short stacking energy: -72.983
Base-Backbone interact. energy: -1.949
local terms energy: -86.960557
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -32.704
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.966 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -486.582628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.582628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.582628 (E_RNA)
where:
Base-Base interactions energy: -301.966
where: short stacking energy: -148.744
Base-Backbone interact. energy: -0.456
local terms energy: -184.161080
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -43.734
flat angles C4'-P-C4' energy: -38.820
flat angles P-C4'-P energy: -25.445
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: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -492.114923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.114923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.114923 (E_RNA)
where:
Base-Base interactions energy: -313.020
where: short stacking energy: -151.235
Base-Backbone interact. energy: -0.489
local terms energy: -178.605717
where:
bonds (distance) C4'-P energy: -37.908
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -42.521
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -33.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -465.556577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.556577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.556577 (E_RNA)
where:
Base-Base interactions energy: -319.181
where: short stacking energy: -130.546
Base-Backbone interact. energy: -2.052
local terms energy: -144.322990
where:
bonds (distance) C4'-P energy: -37.472
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -32.513
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: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -379.929155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.929155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.929155 (E_RNA)
where:
Base-Base interactions energy: -220.568
where: short stacking energy: -104.273
Base-Backbone interact. energy: -0.103
local terms energy: -159.258241
where:
bonds (distance) C4'-P energy: -36.644
bonds (distance) P-C4' energy: -40.363
flat angles C4'-P-C4' energy: -29.068
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -29.012
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: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -359.420400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.420400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.420400 (E_RNA)
where:
Base-Base interactions energy: -220.298
where: short stacking energy: -90.825
Base-Backbone interact. energy: -1.137
local terms energy: -137.985932
where:
bonds (distance) C4'-P energy: -33.404
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -33.957
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -17.332
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: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -292.248434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.248434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.248434 (E_RNA)
where:
Base-Base interactions energy: -156.020
where: short stacking energy: -78.560
Base-Backbone interact. energy: -1.568
local terms energy: -134.761708
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -36.503
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -253.324856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.324856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.324856 (E_RNA)
where:
Base-Base interactions energy: -129.015
where: short stacking energy: -83.634
Base-Backbone interact. energy: 2.427
local terms energy: -126.736813
where:
bonds (distance) C4'-P energy: -33.594
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -11.243
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: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -249.793753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.793753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.793753 (E_RNA)
where:
Base-Base interactions energy: -121.070
where: short stacking energy: -54.304
Base-Backbone interact. energy: 0.925
local terms energy: -129.648343
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -209.732594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.732594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.732594 (E_RNA)
where:
Base-Base interactions energy: -110.079
where: short stacking energy: -55.472
Base-Backbone interact. energy: 0.560
local terms energy: -100.213790
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -36.221
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: 5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -193.520153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.520153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.520153 (E_RNA)
where:
Base-Base interactions energy: -90.690
where: short stacking energy: -52.363
Base-Backbone interact. energy: 0.226
local terms energy: -103.056080
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -17.911
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: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -480.371124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.371124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.371124 (E_RNA)
where:
Base-Base interactions energy: -322.344
where: short stacking energy: -140.689
Base-Backbone interact. energy: -0.370
local terms energy: -157.657286
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -33.923
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -34.553
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: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -477.151443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.151443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.151443 (E_RNA)
where:
Base-Base interactions energy: -314.239
where: short stacking energy: -141.270
Base-Backbone interact. energy: -0.920
local terms energy: -161.992688
where:
bonds (distance) C4'-P energy: -37.240
bonds (distance) P-C4' energy: -34.605
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -35.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -454.199505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.199505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.199505 (E_RNA)
where:
Base-Base interactions energy: -288.538
where: short stacking energy: -136.554
Base-Backbone interact. energy: -0.466
local terms energy: -165.195460
where:
bonds (distance) C4'-P energy: -40.783
bonds (distance) P-C4' energy: -36.283
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -32.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -394.405689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.405689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.405689 (E_RNA)
where:
Base-Base interactions energy: -258.820
where: short stacking energy: -99.537
Base-Backbone interact. energy: -0.330
local terms energy: -135.255504
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -31.491
flat angles P-C4'-P energy: -27.809
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -338.524881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.524881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.524881 (E_RNA)
where:
Base-Base interactions energy: -193.749
where: short stacking energy: -104.995
Base-Backbone interact. energy: -0.701
local terms energy: -144.923035
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.848 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -296.450963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.450963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.450963 (E_RNA)
where:
Base-Base interactions energy: -169.097
where: short stacking energy: -83.272
Base-Backbone interact. energy: 2.348
local terms energy: -129.701358
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -32.456
flat angles C4'-P-C4' energy: -33.513
flat angles P-C4'-P energy: -22.662
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: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -286.438799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.438799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.438799 (E_RNA)
where:
Base-Base interactions energy: -144.419
where: short stacking energy: -89.214
Base-Backbone interact. energy: -0.773
local terms energy: -141.246118
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -18.181
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: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -277.181945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.181945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.181945 (E_RNA)
where:
Base-Base interactions energy: -143.130
where: short stacking energy: -73.512
Base-Backbone interact. energy: -0.494
local terms energy: -133.557179
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -35.088
flat angles P-C4'-P energy: -20.482
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -227.330335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.330335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.330335 (E_RNA)
where:
Base-Base interactions energy: -109.948
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.431
local terms energy: -116.951935
where:
bonds (distance) C4'-P energy: -32.967
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -25.542
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -149.944788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.944788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.944788 (E_RNA)
where:
Base-Base interactions energy: -57.618
where: short stacking energy: -54.734
Base-Backbone interact. energy: 0.091
local terms energy: -92.418460
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -39.326
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: 1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -522.149209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.149209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.149209 (E_RNA)
where:
Base-Base interactions energy: -345.212
where: short stacking energy: -135.718
Base-Backbone interact. energy: -1.527
local terms energy: -175.409632
where:
bonds (distance) C4'-P energy: -37.059
bonds (distance) P-C4' energy: -33.673
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -30.880
tors. eta vs tors. theta energy: -31.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -458.165811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.165811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.165811 (E_RNA)
where:
Base-Base interactions energy: -298.208
where: short stacking energy: -137.030
Base-Backbone interact. energy: -1.357
local terms energy: -158.600557
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -34.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -493.654211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.654211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.654211 (E_RNA)
where:
Base-Base interactions energy: -332.364
where: short stacking energy: -154.744
Base-Backbone interact. energy: -1.891
local terms energy: -159.398592
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -39.262
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -39.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -416.072137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.072137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.072137 (E_RNA)
where:
Base-Base interactions energy: -268.628
where: short stacking energy: -102.177
Base-Backbone interact. energy: -2.451
local terms energy: -144.993456
where:
bonds (distance) C4'-P energy: -35.977
bonds (distance) P-C4' energy: -32.495
flat angles C4'-P-C4' energy: -40.873
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -16.914
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: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -354.416060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.416060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.416060 (E_RNA)
where:
Base-Base interactions energy: -204.107
where: short stacking energy: -113.678
Base-Backbone interact. energy: 0.088
local terms energy: -150.397222
where:
bonds (distance) C4'-P energy: -39.414
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -37.953
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -22.104
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: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -326.510091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.510091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.510091 (E_RNA)
where:
Base-Base interactions energy: -189.404
where: short stacking energy: -86.608
Base-Backbone interact. energy: 0.648
local terms energy: -137.754436
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -252.837261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.837261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.837261 (E_RNA)
where:
Base-Base interactions energy: -133.930
where: short stacking energy: -84.067
Base-Backbone interact. energy: -0.244
local terms energy: -118.662853
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -259.306273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.306273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.306273 (E_RNA)
where:
Base-Base interactions energy: -126.830
where: short stacking energy: -71.292
Base-Backbone interact. energy: -1.514
local terms energy: -130.962383
where:
bonds (distance) C4'-P energy: -27.851
bonds (distance) P-C4' energy: -35.959
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -238.775330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.775330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.775330 (E_RNA)
where:
Base-Base interactions energy: -139.077
where: short stacking energy: -69.849
Base-Backbone interact. energy: 2.580
local terms energy: -102.278896
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -8.701
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: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -171.866701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.866701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.866701 (E_RNA)
where:
Base-Base interactions energy: -60.123
where: short stacking energy: -52.332
Base-Backbone interact. energy: 2.217
local terms energy: -113.960525
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -519.864972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.864972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.864972 (E_RNA)
where:
Base-Base interactions energy: -342.321
where: short stacking energy: -137.138
Base-Backbone interact. energy: -0.097
local terms energy: -177.447544
where:
bonds (distance) C4'-P energy: -38.545
bonds (distance) P-C4' energy: -37.340
flat angles C4'-P-C4' energy: -42.330
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -33.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -522.195083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.195083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.195083 (E_RNA)
where:
Base-Base interactions energy: -347.647
where: short stacking energy: -146.980
Base-Backbone interact. energy: -1.320
local terms energy: -173.228708
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -38.823
flat angles C4'-P-C4' energy: -37.664
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -37.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -443.769648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.769648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.769648 (E_RNA)
where:
Base-Base interactions energy: -278.812
where: short stacking energy: -131.268
Base-Backbone interact. energy: -0.024
local terms energy: -164.934237
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -34.374
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -38.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -429.675120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.675120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.675120 (E_RNA)
where:
Base-Base interactions energy: -277.088
where: short stacking energy: -114.359
Base-Backbone interact. energy: -0.303
local terms energy: -152.283954
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -35.276
flat angles P-C4'-P energy: -22.013
tors. eta vs tors. theta energy: -27.021
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: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -347.472556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.472556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.472556 (E_RNA)
where:
Base-Base interactions energy: -212.596
where: short stacking energy: -95.526
Base-Backbone interact. energy: -0.963
local terms energy: -133.914134
where:
bonds (distance) C4'-P energy: -31.160
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -317.595433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.595433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.595433 (E_RNA)
where:
Base-Base interactions energy: -186.225
where: short stacking energy: -97.405
Base-Backbone interact. energy: -0.533
local terms energy: -130.837215
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -30.984
flat angles C4'-P-C4' energy: -35.408
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -16.025
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -246.583097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.583097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.583097 (E_RNA)
where:
Base-Base interactions energy: -122.053
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.499
local terms energy: -124.030928
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -39.601
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -5.425
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: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -254.003851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.003851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.003851 (E_RNA)
where:
Base-Base interactions energy: -119.503
where: short stacking energy: -64.366
Base-Backbone interact. energy: -1.506
local terms energy: -132.994969
where:
bonds (distance) C4'-P energy: -37.603
bonds (distance) P-C4' energy: -35.734
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -19.643
tors. eta vs tors. theta energy: -9.573
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: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -227.293768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.293768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.293768 (E_RNA)
where:
Base-Base interactions energy: -120.826
where: short stacking energy: -70.741
Base-Backbone interact. energy: -0.283
local terms energy: -106.185017
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -16.013
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: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -158.860962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.860962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.860962 (E_RNA)
where:
Base-Base interactions energy: -69.471
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.091
local terms energy: -89.299773
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -0.844
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: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -552.498950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.498950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.498950 (E_RNA)
where:
Base-Base interactions energy: -382.801
where: short stacking energy: -154.396
Base-Backbone interact. energy: -0.165
local terms energy: -169.532661
where:
bonds (distance) C4'-P energy: -35.546
bonds (distance) P-C4' energy: -40.856
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -37.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -495.567306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.567306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.567306 (E_RNA)
where:
Base-Base interactions energy: -332.682
where: short stacking energy: -130.424
Base-Backbone interact. energy: -1.446
local terms energy: -161.439178
where:
bonds (distance) C4'-P energy: -38.949
bonds (distance) P-C4' energy: -29.737
flat angles C4'-P-C4' energy: -39.282
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -32.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -400.544512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.544512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.544512 (E_RNA)
where:
Base-Base interactions energy: -244.466
where: short stacking energy: -129.314
Base-Backbone interact. energy: -0.695
local terms energy: -155.383590
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -34.449
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -33.161
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -439.766750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.766750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.766750 (E_RNA)
where:
Base-Base interactions energy: -289.440
where: short stacking energy: -115.323
Base-Backbone interact. energy: -0.976
local terms energy: -149.351392
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -32.620
flat angles C4'-P-C4' energy: -30.933
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -24.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -363.426612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.426612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.426612 (E_RNA)
where:
Base-Base interactions energy: -225.884
where: short stacking energy: -90.709
Base-Backbone interact. energy: -0.920
local terms energy: -136.623172
where:
bonds (distance) C4'-P energy: -30.604
bonds (distance) P-C4' energy: -34.301
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -322.134168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.134168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.134168 (E_RNA)
where:
Base-Base interactions energy: -181.959
where: short stacking energy: -91.144
Base-Backbone interact. energy: -0.038
local terms energy: -140.137922
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -321.683411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.683411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.683411 (E_RNA)
where:
Base-Base interactions energy: -210.225
where: short stacking energy: -67.464
Base-Backbone interact. energy: -0.324
local terms energy: -111.134021
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -249.297489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.297489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.297489 (E_RNA)
where:
Base-Base interactions energy: -125.622
where: short stacking energy: -82.801
Base-Backbone interact. energy: -0.414
local terms energy: -123.306753
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -24.324
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.045 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -212.850316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.850316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.850316 (E_RNA)
where:
Base-Base interactions energy: -96.255
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.731
local terms energy: -115.864854
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -42.653
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: 4.358
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: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -200.731470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.731470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.731470 (E_RNA)
where:
Base-Base interactions energy: -86.720
where: short stacking energy: -50.145
Base-Backbone interact. energy: 0.951
local terms energy: -114.962617
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -34.065
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: 0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -550.638084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.638084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.638084 (E_RNA)
where:
Base-Base interactions energy: -391.562
where: short stacking energy: -153.918
Base-Backbone interact. energy: -0.774
local terms energy: -158.302071
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -29.838
tors. eta vs tors. theta energy: -35.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -481.547868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.547868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.547868 (E_RNA)
where:
Base-Base interactions energy: -320.453
where: short stacking energy: -127.825
Base-Backbone interact. energy: -1.918
local terms energy: -159.177159
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -32.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -412.791494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.791494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.791494 (E_RNA)
where:
Base-Base interactions energy: -247.742
where: short stacking energy: -127.087
Base-Backbone interact. energy: -0.404
local terms energy: -164.644953
where:
bonds (distance) C4'-P energy: -34.619
bonds (distance) P-C4' energy: -35.528
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -27.493
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -465.233101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.233101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.233101 (E_RNA)
where:
Base-Base interactions energy: -320.200
where: short stacking energy: -120.701
Base-Backbone interact. energy: -0.920
local terms energy: -144.113187
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -38.408
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -21.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -375.108585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.108585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.108585 (E_RNA)
where:
Base-Base interactions energy: -232.343
where: short stacking energy: -106.052
Base-Backbone interact. energy: -1.441
local terms energy: -141.324914
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -38.215
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -24.325
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: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -335.096494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.096494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.096494 (E_RNA)
where:
Base-Base interactions energy: -206.913
where: short stacking energy: -101.533
Base-Backbone interact. energy: -0.206
local terms energy: -127.977301
where:
bonds (distance) C4'-P energy: -30.128
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -324.682179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.682179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.682179 (E_RNA)
where:
Base-Base interactions energy: -193.749
where: short stacking energy: -87.581
Base-Backbone interact. energy: -0.347
local terms energy: -131.978172
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -34.447
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -13.464
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: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -241.513112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.513112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.513112 (E_RNA)
where:
Base-Base interactions energy: -112.839
where: short stacking energy: -62.960
Base-Backbone interact. energy: -1.272
local terms energy: -127.402055
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -2.171
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: 9, replica: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -253.603845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.603845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.603845 (E_RNA)
where:
Base-Base interactions energy: -140.432
where: short stacking energy: -76.448
Base-Backbone interact. energy: -1.064
local terms energy: -112.108188
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -206.203480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.203480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.203480 (E_RNA)
where:
Base-Base interactions energy: -115.267
where: short stacking energy: -64.776
Base-Backbone interact. energy: 0.277
local terms energy: -91.800091
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.586 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -525.753624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.753624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.753624 (E_RNA)
where:
Base-Base interactions energy: -349.379
where: short stacking energy: -154.082
Base-Backbone interact. energy: 0.402
local terms energy: -176.777219
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -40.406
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -42.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -495.698321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.698321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.698321 (E_RNA)
where:
Base-Base interactions energy: -333.373
where: short stacking energy: -147.851
Base-Backbone interact. energy: -0.956
local terms energy: -161.368554
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -35.005
flat angles C4'-P-C4' energy: -39.213
flat angles P-C4'-P energy: -28.299
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: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -474.234984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.234984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.234984 (E_RNA)
where:
Base-Base interactions energy: -325.493
where: short stacking energy: -127.004
Base-Backbone interact. energy: -1.376
local terms energy: -147.365473
where:
bonds (distance) C4'-P energy: -28.182
bonds (distance) P-C4' energy: -35.949
flat angles C4'-P-C4' energy: -36.921
flat angles P-C4'-P energy: -17.625
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: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -404.247375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.247375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.247375 (E_RNA)
where:
Base-Base interactions energy: -241.189
where: short stacking energy: -124.926
Base-Backbone interact. energy: -0.240
local terms energy: -162.817825
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -39.570
flat angles C4'-P-C4' energy: -36.549
flat angles P-C4'-P energy: -25.300
tors. eta vs tors. theta energy: -31.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -357.069273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.069273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.069273 (E_RNA)
where:
Base-Base interactions energy: -217.708
where: short stacking energy: -107.540
Base-Backbone interact. energy: -1.207
local terms energy: -138.154032
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -36.190
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -18.798
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: 20
Temperature: 1.150000
Total energy: -304.524526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.524526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.524526 (E_RNA)
where:
Base-Base interactions energy: -175.704
where: short stacking energy: -103.013
Base-Backbone interact. energy: -0.877
local terms energy: -128.216763
where:
bonds (distance) C4'-P energy: -34.070
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.273 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -312.684184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.684184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.684184 (E_RNA)
where:
Base-Base interactions energy: -186.789
where: short stacking energy: -89.596
Base-Backbone interact. energy: 1.055
local terms energy: -126.949713
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -37.946
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -7.982
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: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -240.663900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.663900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.663900 (E_RNA)
where:
Base-Base interactions energy: -139.524
where: short stacking energy: -60.586
Base-Backbone interact. energy: -1.827
local terms energy: -99.313281
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: 2.152
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: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -296.591530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.591530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.591530 (E_RNA)
where:
Base-Base interactions energy: -175.562
where: short stacking energy: -80.743
Base-Backbone interact. energy: -1.547
local terms energy: -119.482924
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -37.660
flat angles C4'-P-C4' energy: -29.441
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -16.029
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -215.664015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.664015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.664015 (E_RNA)
where:
Base-Base interactions energy: -123.614
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.297
local terms energy: -91.753457
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -1.866
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: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -537.233537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.233537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.233537 (E_RNA)
where:
Base-Base interactions energy: -377.506
where: short stacking energy: -160.934
Base-Backbone interact. energy: -0.675
local terms energy: -159.052073
where:
bonds (distance) C4'-P energy: -26.848
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -42.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -507.118537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.118537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.118537 (E_RNA)
where:
Base-Base interactions energy: -341.743
where: short stacking energy: -147.475
Base-Backbone interact. energy: -0.993
local terms energy: -164.381885
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -31.616
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: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -466.143762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.143762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.143762 (E_RNA)
where:
Base-Base interactions energy: -310.806
where: short stacking energy: -142.400
Base-Backbone interact. energy: 0.167
local terms energy: -155.505096
where:
bonds (distance) C4'-P energy: -35.372
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -30.742
flat angles P-C4'-P energy: -26.184
tors. eta vs tors. theta energy: -32.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -397.054406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.054406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.054406 (E_RNA)
where:
Base-Base interactions energy: -240.640
where: short stacking energy: -119.129
Base-Backbone interact. energy: -0.992
local terms energy: -156.579478
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -33.964
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.157 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -379.716039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.716039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.716039 (E_RNA)
where:
Base-Base interactions energy: -226.543
where: short stacking energy: -110.366
Base-Backbone interact. energy: -1.700
local terms energy: -151.472755
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -36.980
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -24.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -348.000364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.000364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.000364 (E_RNA)
where:
Base-Base interactions energy: -203.384
where: short stacking energy: -101.924
Base-Backbone interact. energy: -0.862
local terms energy: -143.754942
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -35.222
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -28.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -298.937136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.937136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.937136 (E_RNA)
where:
Base-Base interactions energy: -174.890
where: short stacking energy: -86.892
Base-Backbone interact. energy: -0.712
local terms energy: -123.335009
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -14.810
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: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -288.889598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.889598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.889598 (E_RNA)
where:
Base-Base interactions energy: -167.309
where: short stacking energy: -84.684
Base-Backbone interact. energy: -0.545
local terms energy: -121.035819
where:
bonds (distance) C4'-P energy: -32.290
bonds (distance) P-C4' energy: -33.807
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -232.246783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.246783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.246783 (E_RNA)
where:
Base-Base interactions energy: -105.477
where: short stacking energy: -53.798
Base-Backbone interact. energy: -1.178
local terms energy: -125.655334
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -30.065
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -245.467700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.467700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.467700 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -72.485
Base-Backbone interact. energy: -0.339
local terms energy: -119.369072
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -33.968
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -535.537807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.537807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.537807 (E_RNA)
where:
Base-Base interactions energy: -353.491
where: short stacking energy: -157.325
Base-Backbone interact. energy: -1.149
local terms energy: -180.898105
where:
bonds (distance) C4'-P energy: -35.881
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -40.327
flat angles P-C4'-P energy: -28.135
tors. eta vs tors. theta energy: -39.682
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: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -500.212745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.212745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.212745 (E_RNA)
where:
Base-Base interactions energy: -329.282
where: short stacking energy: -142.429
Base-Backbone interact. energy: -1.058
local terms energy: -169.872768
where:
bonds (distance) C4'-P energy: -38.924
bonds (distance) P-C4' energy: -32.058
flat angles C4'-P-C4' energy: -33.958
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -33.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -459.186537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.186537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.186537 (E_RNA)
where:
Base-Base interactions energy: -296.792
where: short stacking energy: -124.295
Base-Backbone interact. energy: -0.164
local terms energy: -162.230260
where:
bonds (distance) C4'-P energy: -32.989
bonds (distance) P-C4' energy: -35.870
flat angles C4'-P-C4' energy: -31.649
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -36.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -385.196266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.196266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.196266 (E_RNA)
where:
Base-Base interactions energy: -238.439
where: short stacking energy: -109.449
Base-Backbone interact. energy: -1.552
local terms energy: -145.205520
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -24.729
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -389.525787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.525787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.525787 (E_RNA)
where:
Base-Base interactions energy: -239.933
where: short stacking energy: -119.142
Base-Backbone interact. energy: 0.896
local terms energy: -150.488816
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -32.889
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -27.588
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: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -338.575424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.575424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.575424 (E_RNA)
where:
Base-Base interactions energy: -211.242
where: short stacking energy: -98.906
Base-Backbone interact. energy: 1.351
local terms energy: -128.684036
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -13.614
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: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -313.912189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.912189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.912189 (E_RNA)
where:
Base-Base interactions energy: -182.702
where: short stacking energy: -83.569
Base-Backbone interact. energy: -0.531
local terms energy: -130.936327
where:
bonds (distance) C4'-P energy: -32.317
bonds (distance) P-C4' energy: -33.493
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -297.238935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.238935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.238935 (E_RNA)
where:
Base-Base interactions energy: -176.898
where: short stacking energy: -76.579
Base-Backbone interact. energy: 0.120
local terms energy: -120.461567
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -38.667
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -237.812025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.812025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.812025 (E_RNA)
where:
Base-Base interactions energy: -125.445
where: short stacking energy: -74.260
Base-Backbone interact. energy: -0.503
local terms energy: -111.863715
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -212.948650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.948650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.948650 (E_RNA)
where:
Base-Base interactions energy: -115.063
where: short stacking energy: -60.499
Base-Backbone interact. energy: 6.081
local terms energy: -106.742720
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -22.174
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.776 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -559.491159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.491159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.491159 (E_RNA)
where:
Base-Base interactions energy: -373.087
where: short stacking energy: -148.984
Base-Backbone interact. energy: 2.400
local terms energy: -188.804282
where:
bonds (distance) C4'-P energy: -34.904
bonds (distance) P-C4' energy: -37.447
flat angles C4'-P-C4' energy: -39.395
flat angles P-C4'-P energy: -32.216
tors. eta vs tors. theta energy: -44.842
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: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -485.204683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.204683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.204683 (E_RNA)
where:
Base-Base interactions energy: -324.605
where: short stacking energy: -135.807
Base-Backbone interact. energy: -0.462
local terms energy: -160.137344
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -35.210
flat angles C4'-P-C4' energy: -40.191
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -32.428
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: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -508.068627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.068627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.068627 (E_RNA)
where:
Base-Base interactions energy: -341.595
where: short stacking energy: -144.654
Base-Backbone interact. energy: -0.491
local terms energy: -165.982352
where:
bonds (distance) C4'-P energy: -35.224
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: -35.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -416.250991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.250991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.250991 (E_RNA)
where:
Base-Base interactions energy: -260.793
where: short stacking energy: -124.223
Base-Backbone interact. energy: -0.468
local terms energy: -154.990251
where:
bonds (distance) C4'-P energy: -35.540
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -34.863
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -29.254
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: 23
Temperature: 1.100000
Total energy: -358.222631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.222631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.222631 (E_RNA)
where:
Base-Base interactions energy: -232.639
where: short stacking energy: -98.875
Base-Backbone interact. energy: 1.897
local terms energy: -127.481330
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -32.775
flat angles C4'-P-C4' energy: -28.200
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -323.049170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.049170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.049170 (E_RNA)
where:
Base-Base interactions energy: -193.548
where: short stacking energy: -91.703
Base-Backbone interact. energy: -0.310
local terms energy: -129.369174
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -36.483
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.179 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -321.496376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.496376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.496376 (E_RNA)
where:
Base-Base interactions energy: -183.399
where: short stacking energy: -87.855
Base-Backbone interact. energy: -1.303
local terms energy: -136.793766
where:
bonds (distance) C4'-P energy: -40.113
bonds (distance) P-C4' energy: -37.924
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -276.520068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.520068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.520068 (E_RNA)
where:
Base-Base interactions energy: -148.213
where: short stacking energy: -65.394
Base-Backbone interact. energy: -1.262
local terms energy: -127.044361
where:
bonds (distance) C4'-P energy: -32.036
bonds (distance) P-C4' energy: -42.355
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -5.884
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: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -242.415380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.415380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.415380 (E_RNA)
where:
Base-Base interactions energy: -128.592
where: short stacking energy: -69.707
Base-Backbone interact. energy: 0.136
local terms energy: -113.959471
where:
bonds (distance) C4'-P energy: -29.043
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -32.910
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -222.964813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.964813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.964813 (E_RNA)
where:
Base-Base interactions energy: -110.206
where: short stacking energy: -72.852
Base-Backbone interact. energy: 0.425
local terms energy: -113.184318
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -542.990087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.990087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.990087 (E_RNA)
where:
Base-Base interactions energy: -364.400
where: short stacking energy: -155.657
Base-Backbone interact. energy: -1.415
local terms energy: -177.174853
where:
bonds (distance) C4'-P energy: -31.202
bonds (distance) P-C4' energy: -39.368
flat angles C4'-P-C4' energy: -39.867
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -41.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -515.928865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.928865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.928865 (E_RNA)
where:
Base-Base interactions energy: -355.348
where: short stacking energy: -132.841
Base-Backbone interact. energy: -1.587
local terms energy: -158.993772
where:
bonds (distance) C4'-P energy: -33.298
bonds (distance) P-C4' energy: -36.107
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -37.301
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: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -455.106446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.106446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.106446 (E_RNA)
where:
Base-Base interactions energy: -298.085
where: short stacking energy: -123.951
Base-Backbone interact. energy: -0.581
local terms energy: -156.440678
where:
bonds (distance) C4'-P energy: -28.394
bonds (distance) P-C4' energy: -37.344
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -30.096
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: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -401.831801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.831801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.831801 (E_RNA)
where:
Base-Base interactions energy: -252.859
where: short stacking energy: -123.512
Base-Backbone interact. energy: -0.815
local terms energy: -148.157967
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -29.238
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -29.567
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: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -335.487532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.487532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.487532 (E_RNA)
where:
Base-Base interactions energy: -192.570
where: short stacking energy: -96.960
Base-Backbone interact. energy: -0.226
local terms energy: -144.169555
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -37.732
flat angles C4'-P-C4' energy: -34.388
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.478 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -359.957122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.957122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.957122 (E_RNA)
where:
Base-Base interactions energy: -217.623
where: short stacking energy: -94.867
Base-Backbone interact. energy: 0.875
local terms energy: -143.209787
where:
bonds (distance) C4'-P energy: -32.872
bonds (distance) P-C4' energy: -36.167
flat angles C4'-P-C4' energy: -33.769
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -297.451027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.451027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.451027 (E_RNA)
where:
Base-Base interactions energy: -165.674
where: short stacking energy: -73.127
Base-Backbone interact. energy: -2.396
local terms energy: -129.380676
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -32.665
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -295.800593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.800593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.800593 (E_RNA)
where:
Base-Base interactions energy: -183.971
where: short stacking energy: -104.835
Base-Backbone interact. energy: 0.193
local terms energy: -112.022471
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -13.962
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: 24
Temperature: 1.300000
Total energy: -240.569981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.569981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.569981 (E_RNA)
where:
Base-Base interactions energy: -130.240
where: short stacking energy: -59.850
Base-Backbone interact. energy: 0.121
local terms energy: -110.451490
where:
bonds (distance) C4'-P energy: -31.104
bonds (distance) P-C4' energy: -26.724
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -22.336
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: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -171.332246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.332246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.332246 (E_RNA)
where:
Base-Base interactions energy: -75.934
where: short stacking energy: -51.169
Base-Backbone interact. energy: -0.433
local terms energy: -94.964433
where:
bonds (distance) C4'-P energy: -36.173
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -26.393
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: 6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -543.451809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.451809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.451809 (E_RNA)
where:
Base-Base interactions energy: -367.594
where: short stacking energy: -160.448
Base-Backbone interact. energy: 0.729
local terms energy: -176.586831
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -38.274
flat angles C4'-P-C4' energy: -32.559
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -42.058
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: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -530.137988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.137988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.137988 (E_RNA)
where:
Base-Base interactions energy: -358.859
where: short stacking energy: -149.280
Base-Backbone interact. energy: 0.074
local terms energy: -171.352661
where:
bonds (distance) C4'-P energy: -35.996
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -36.051
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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -478.002999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.002999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.002999 (E_RNA)
where:
Base-Base interactions energy: -315.574
where: short stacking energy: -124.240
Base-Backbone interact. energy: -1.499
local terms energy: -160.930365
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -35.387
flat angles C4'-P-C4' energy: -36.111
flat angles P-C4'-P energy: -28.144
tors. eta vs tors. theta energy: -30.753
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -404.199911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.199911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.199911 (E_RNA)
where:
Base-Base interactions energy: -246.349
where: short stacking energy: -109.340
Base-Backbone interact. energy: -1.697
local terms energy: -156.153323
where:
bonds (distance) C4'-P energy: -31.282
bonds (distance) P-C4' energy: -32.746
flat angles C4'-P-C4' energy: -42.263
flat angles P-C4'-P energy: -25.572
tors. eta vs tors. theta energy: -24.291
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: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -347.592311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.592311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.592311 (E_RNA)
where:
Base-Base interactions energy: -211.906
where: short stacking energy: -85.254
Base-Backbone interact. energy: -4.965
local terms energy: -130.925321
where:
bonds (distance) C4'-P energy: -39.471
bonds (distance) P-C4' energy: -33.650
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.204 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -325.731972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.731972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.731972 (E_RNA)
where:
Base-Base interactions energy: -194.122
where: short stacking energy: -85.146
Base-Backbone interact. energy: -0.385
local terms energy: -131.225502
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -28.467
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -306.867288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.867288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.867288 (E_RNA)
where:
Base-Base interactions energy: -197.912
where: short stacking energy: -86.908
Base-Backbone interact. energy: -1.228
local terms energy: -107.727548
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -1.468
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -293.173472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.173472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.173472 (E_RNA)
where:
Base-Base interactions energy: -178.263
where: short stacking energy: -91.191
Base-Backbone interact. energy: -0.474
local terms energy: -114.533165
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.097 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -275.552614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.552614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.552614 (E_RNA)
where:
Base-Base interactions energy: -159.769
where: short stacking energy: -77.990
Base-Backbone interact. energy: 0.480
local terms energy: -116.263716
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -12.473
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: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -152.622470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.622470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.622470 (E_RNA)
where:
Base-Base interactions energy: -50.174
where: short stacking energy: -45.357
Base-Backbone interact. energy: -0.204
local terms energy: -102.244790
where:
bonds (distance) C4'-P energy: -34.694
bonds (distance) P-C4' energy: -29.079
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: 1.329
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: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -546.337198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.337198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.337198 (E_RNA)
where:
Base-Base interactions energy: -362.121
where: short stacking energy: -137.877
Base-Backbone interact. energy: -1.272
local terms energy: -182.943871
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -44.952
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -38.283
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: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -531.144473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.144473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.144473 (E_RNA)
where:
Base-Base interactions energy: -354.970
where: short stacking energy: -146.997
Base-Backbone interact. energy: -3.137
local terms energy: -173.037246
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -38.118
flat angles C4'-P-C4' energy: -37.142
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -43.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -468.555668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.555668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.555668 (E_RNA)
where:
Base-Base interactions energy: -300.553
where: short stacking energy: -134.816
Base-Backbone interact. energy: -0.218
local terms energy: -167.785296
where:
bonds (distance) C4'-P energy: -34.351
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -40.595
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -30.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -410.541310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.541310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.541310 (E_RNA)
where:
Base-Base interactions energy: -249.131
where: short stacking energy: -120.837
Base-Backbone interact. energy: -1.399
local terms energy: -160.011942
where:
bonds (distance) C4'-P energy: -28.523
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -31.501
tors. eta vs tors. theta energy: -28.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -353.627972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.627972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.627972 (E_RNA)
where:
Base-Base interactions energy: -209.111
where: short stacking energy: -114.523
Base-Backbone interact. energy: 2.930
local terms energy: -147.446779
where:
bonds (distance) C4'-P energy: -36.698
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -31.288
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -22.334
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -334.720378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.720378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.720378 (E_RNA)
where:
Base-Base interactions energy: -196.498
where: short stacking energy: -94.692
Base-Backbone interact. energy: -0.424
local terms energy: -137.798948
where:
bonds (distance) C4'-P energy: -32.912
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -18.174
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: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -305.680734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.680734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.680734 (E_RNA)
where:
Base-Base interactions energy: -185.259
where: short stacking energy: -89.448
Base-Backbone interact. energy: 0.512
local terms energy: -120.933669
where:
bonds (distance) C4'-P energy: -33.494
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -24.011
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -278.534621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.534621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.534621 (E_RNA)
where:
Base-Base interactions energy: -150.339
where: short stacking energy: -74.083
Base-Backbone interact. energy: -0.831
local terms energy: -127.363940
where:
bonds (distance) C4'-P energy: -38.461
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -12.653
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: 26
Temperature: 1.300000
Total energy: -285.624427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.624427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.624427 (E_RNA)
where:
Base-Base interactions energy: -185.267
where: short stacking energy: -82.657
Base-Backbone interact. energy: -1.005
local terms energy: -99.351903
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -35.119
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -151.956619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.956619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.956619 (E_RNA)
where:
Base-Base interactions energy: -61.099
where: short stacking energy: -24.918
Base-Backbone interact. energy: -0.246
local terms energy: -90.611425
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: 14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -547.211542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.211542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.211542 (E_RNA)
where:
Base-Base interactions energy: -367.741
where: short stacking energy: -154.648
Base-Backbone interact. energy: 0.299
local terms energy: -179.769198
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -39.676
flat angles P-C4'-P energy: -34.520
tors. eta vs tors. theta energy: -43.750
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: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -508.571342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.571342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.571342 (E_RNA)
where:
Base-Base interactions energy: -349.280
where: short stacking energy: -138.856
Base-Backbone interact. energy: -0.394
local terms energy: -158.897050
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -40.400
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: -35.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -470.129190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.129190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.129190 (E_RNA)
where:
Base-Base interactions energy: -305.338
where: short stacking energy: -135.643
Base-Backbone interact. energy: -0.554
local terms energy: -164.237055
where:
bonds (distance) C4'-P energy: -35.381
bonds (distance) P-C4' energy: -36.035
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -32.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -417.490327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.490327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.490327 (E_RNA)
where:
Base-Base interactions energy: -253.272
where: short stacking energy: -130.077
Base-Backbone interact. energy: -2.750
local terms energy: -161.467433
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -40.532
flat angles C4'-P-C4' energy: -32.954
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -35.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -331.157044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.157044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.157044 (E_RNA)
where:
Base-Base interactions energy: -197.737
where: short stacking energy: -78.906
Base-Backbone interact. energy: -2.395
local terms energy: -131.025398
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -36.232
flat angles C4'-P-C4' energy: -34.105
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -14.385
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: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -332.838542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.838542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.838542 (E_RNA)
where:
Base-Base interactions energy: -198.762
where: short stacking energy: -83.284
Base-Backbone interact. energy: -0.267
local terms energy: -133.809520
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -270.261019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.261019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.261019 (E_RNA)
where:
Base-Base interactions energy: -154.128
where: short stacking energy: -94.662
Base-Backbone interact. energy: -1.381
local terms energy: -114.751766
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -286.002146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.002146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.002146 (E_RNA)
where:
Base-Base interactions energy: -173.415
where: short stacking energy: -71.288
Base-Backbone interact. energy: -1.007
local terms energy: -111.580212
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: 0.994
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: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -292.654131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.654131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.654131 (E_RNA)
where:
Base-Base interactions energy: -178.409
where: short stacking energy: -95.244
Base-Backbone interact. energy: -0.099
local terms energy: -114.145556
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -14.002
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: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -164.090262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.090262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.090262 (E_RNA)
where:
Base-Base interactions energy: -63.720
where: short stacking energy: -50.294
Base-Backbone interact. energy: -1.308
local terms energy: -99.062190
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: 4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -542.238069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.238069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.238069 (E_RNA)
where:
Base-Base interactions energy: -363.990
where: short stacking energy: -160.648
Base-Backbone interact. energy: 0.650
local terms energy: -178.897885
where:
bonds (distance) C4'-P energy: -33.605
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -37.604
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -44.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -494.572615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.572615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.572615 (E_RNA)
where:
Base-Base interactions energy: -328.306
where: short stacking energy: -130.173
Base-Backbone interact. energy: 0.277
local terms energy: -166.543686
where:
bonds (distance) C4'-P energy: -35.088
bonds (distance) P-C4' energy: -39.421
flat angles C4'-P-C4' energy: -37.593
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -29.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -486.325040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.325040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.325040 (E_RNA)
where:
Base-Base interactions energy: -330.618
where: short stacking energy: -124.501
Base-Backbone interact. energy: -0.470
local terms energy: -155.237723
where:
bonds (distance) C4'-P energy: -37.380
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -28.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -413.000710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.000710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.000710 (E_RNA)
where:
Base-Base interactions energy: -270.220
where: short stacking energy: -117.858
Base-Backbone interact. energy: -2.819
local terms energy: -139.962257
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -369.256725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.256725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.256725 (E_RNA)
where:
Base-Base interactions energy: -241.220
where: short stacking energy: -101.889
Base-Backbone interact. energy: 3.136
local terms energy: -131.172746
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -33.508
flat angles C4'-P-C4' energy: -32.293
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -20.276
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: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -345.004814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.004814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.004814 (E_RNA)
where:
Base-Base interactions energy: -199.578
where: short stacking energy: -94.477
Base-Backbone interact. energy: 0.769
local terms energy: -146.195832
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -38.454
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -17.424
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: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -303.762429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.762429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.762429 (E_RNA)
where:
Base-Base interactions energy: -190.131
where: short stacking energy: -84.931
Base-Backbone interact. energy: -1.535
local terms energy: -112.096717
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -33.803
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -262.705130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.705130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.705130 (E_RNA)
where:
Base-Base interactions energy: -140.434
where: short stacking energy: -73.286
Base-Backbone interact. energy: -1.687
local terms energy: -120.584429
where:
bonds (distance) C4'-P energy: -31.990
bonds (distance) P-C4' energy: -38.351
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -252.520147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.520147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.520147 (E_RNA)
where:
Base-Base interactions energy: -141.077
where: short stacking energy: -61.826
Base-Backbone interact. energy: 1.807
local terms energy: -113.390851
where:
bonds (distance) C4'-P energy: -30.597
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: 0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.141 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -199.619165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.619165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.619165 (E_RNA)
where:
Base-Base interactions energy: -100.300
where: short stacking energy: -50.030
Base-Backbone interact. energy: 0.065
local terms energy: -99.384472
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -32.380
flat angles C4'-P-C4' energy: -27.523
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: 5.417
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: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -558.550136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.550136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.550136 (E_RNA)
where:
Base-Base interactions energy: -371.653
where: short stacking energy: -162.616
Base-Backbone interact. energy: -0.795
local terms energy: -186.102137
where:
bonds (distance) C4'-P energy: -39.087
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -40.527
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -47.281
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: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -536.839559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.839559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.839559 (E_RNA)
where:
Base-Base interactions energy: -367.563
where: short stacking energy: -145.129
Base-Backbone interact. energy: -1.674
local terms energy: -167.602401
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -36.948
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -35.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -473.013492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.013492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.013492 (E_RNA)
where:
Base-Base interactions energy: -322.293
where: short stacking energy: -124.116
Base-Backbone interact. energy: -1.268
local terms energy: -149.452104
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -433.103866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.103866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.103866 (E_RNA)
where:
Base-Base interactions energy: -280.601
where: short stacking energy: -128.185
Base-Backbone interact. energy: -0.300
local terms energy: -152.202587
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -32.699
flat angles C4'-P-C4' energy: -35.181
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -24.344
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: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -372.588582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.588582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.588582 (E_RNA)
where:
Base-Base interactions energy: -218.190
where: short stacking energy: -103.701
Base-Backbone interact. energy: -2.299
local terms energy: -152.099641
where:
bonds (distance) C4'-P energy: -31.785
bonds (distance) P-C4' energy: -33.701
flat angles C4'-P-C4' energy: -41.479
flat angles P-C4'-P energy: -25.727
tors. eta vs tors. theta energy: -19.407
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: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -327.995007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.995007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.995007 (E_RNA)
where:
Base-Base interactions energy: -187.069
where: short stacking energy: -95.122
Base-Backbone interact. energy: -1.027
local terms energy: -139.898816
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -314.230237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.230237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.230237 (E_RNA)
where:
Base-Base interactions energy: -196.588
where: short stacking energy: -91.670
Base-Backbone interact. energy: -0.313
local terms energy: -117.328918
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -17.929
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: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -255.295771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.295771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.295771 (E_RNA)
where:
Base-Base interactions energy: -130.105
where: short stacking energy: -79.423
Base-Backbone interact. energy: 0.312
local terms energy: -125.502341
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -243.519601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.519601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.519601 (E_RNA)
where:
Base-Base interactions energy: -132.321
where: short stacking energy: -68.303
Base-Backbone interact. energy: 1.902
local terms energy: -113.100537
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -34.791
flat angles C4'-P-C4' energy: -31.709
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -230.581509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.581509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.581509 (E_RNA)
where:
Base-Base interactions energy: -115.885
where: short stacking energy: -62.095
Base-Backbone interact. energy: -1.988
local terms energy: -112.707887
where:
bonds (distance) C4'-P energy: -23.818
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -7.558
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: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -535.391704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.391704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.391704 (E_RNA)
where:
Base-Base interactions energy: -358.248
where: short stacking energy: -138.081
Base-Backbone interact. energy: -1.218
local terms energy: -175.925686
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -40.900
flat angles C4'-P-C4' energy: -32.770
flat angles P-C4'-P energy: -26.234
tors. eta vs tors. theta energy: -42.959
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -516.304787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.304787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.304787 (E_RNA)
where:
Base-Base interactions energy: -351.524
where: short stacking energy: -135.481
Base-Backbone interact. energy: -2.174
local terms energy: -162.606084
where:
bonds (distance) C4'-P energy: -35.635
bonds (distance) P-C4' energy: -36.759
flat angles C4'-P-C4' energy: -38.540
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -34.217
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: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -466.160088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.160088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.160088 (E_RNA)
where:
Base-Base interactions energy: -311.512
where: short stacking energy: -137.126
Base-Backbone interact. energy: -0.549
local terms energy: -154.099490
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -30.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -424.433909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.433909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.433909 (E_RNA)
where:
Base-Base interactions energy: -287.747
where: short stacking energy: -123.214
Base-Backbone interact. energy: -0.884
local terms energy: -135.802593
where:
bonds (distance) C4'-P energy: -24.737
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -392.859407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.859407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.859407 (E_RNA)
where:
Base-Base interactions energy: -239.261
where: short stacking energy: -109.224
Base-Backbone interact. energy: -0.583
local terms energy: -153.015512
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -33.510
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -24.892
tors. eta vs tors. theta energy: -25.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -376.451572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.451572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.451572 (E_RNA)
where:
Base-Base interactions energy: -243.867
where: short stacking energy: -119.751
Base-Backbone interact. energy: 1.310
local terms energy: -133.895013
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -25.599
tors. eta vs tors. theta energy: -22.393
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: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -339.658010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.658010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.658010 (E_RNA)
where:
Base-Base interactions energy: -208.122
where: short stacking energy: -101.516
Base-Backbone interact. energy: 1.794
local terms energy: -134.452335
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -13.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.122 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -239.227299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.227299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.227299 (E_RNA)
where:
Base-Base interactions energy: -131.532
where: short stacking energy: -83.562
Base-Backbone interact. energy: -0.130
local terms energy: -107.564507
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -34.798
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -224.772381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.772381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.772381 (E_RNA)
where:
Base-Base interactions energy: -116.848
where: short stacking energy: -62.970
Base-Backbone interact. energy: -1.216
local terms energy: -106.709012
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: 1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -219.904592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.904592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.904592 (E_RNA)
where:
Base-Base interactions energy: -117.965
where: short stacking energy: -72.025
Base-Backbone interact. energy: -0.533
local terms energy: -101.406512
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -14.221
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: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -535.981998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.981998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.981998 (E_RNA)
where:
Base-Base interactions energy: -365.911
where: short stacking energy: -159.877
Base-Backbone interact. energy: -0.798
local terms energy: -169.272872
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -40.834
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -43.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -529.317336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.317336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.317336 (E_RNA)
where:
Base-Base interactions energy: -358.348
where: short stacking energy: -145.095
Base-Backbone interact. energy: -0.915
local terms energy: -170.054666
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -40.758
flat angles C4'-P-C4' energy: -35.925
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -39.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -462.922578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.922578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.922578 (E_RNA)
where:
Base-Base interactions energy: -288.050
where: short stacking energy: -120.450
Base-Backbone interact. energy: 0.514
local terms energy: -175.386342
where:
bonds (distance) C4'-P energy: -45.286
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -38.680
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -30.393
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: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -421.991693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.991693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.991693 (E_RNA)
where:
Base-Base interactions energy: -264.140
where: short stacking energy: -138.861
Base-Backbone interact. energy: -0.197
local terms energy: -157.654351
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -33.559
flat angles C4'-P-C4' energy: -29.582
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -34.302
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: 31
Temperature: 1.100000
Total energy: -419.167254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.167254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.167254 (E_RNA)
where:
Base-Base interactions energy: -267.543
where: short stacking energy: -105.333
Base-Backbone interact. energy: -2.859
local terms energy: -148.764532
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -32.411
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -28.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -346.625910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.625910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.625910 (E_RNA)
where:
Base-Base interactions energy: -213.063
where: short stacking energy: -101.416
Base-Backbone interact. energy: -0.963
local terms energy: -132.599803
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -33.709
flat angles P-C4'-P energy: -28.772
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -318.467731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.467731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.467731 (E_RNA)
where:
Base-Base interactions energy: -195.193
where: short stacking energy: -101.342
Base-Backbone interact. energy: -1.824
local terms energy: -121.450975
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -28.849
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -240.959480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.959480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.959480 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -67.628
Base-Backbone interact. energy: -0.053
local terms energy: -123.115583
where:
bonds (distance) C4'-P energy: -26.596
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -37.300
flat angles P-C4'-P energy: -20.346
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: 0.340 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -216.450696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.450696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.450696 (E_RNA)
where:
Base-Base interactions energy: -108.279
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.522
local terms energy: -107.649989
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -214.323429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.323429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.323429 (E_RNA)
where:
Base-Base interactions energy: -100.014
where: short stacking energy: -53.666
Base-Backbone interact. energy: -0.572
local terms energy: -113.737486
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -35.514
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -546.997228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.997228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.997228 (E_RNA)
where:
Base-Base interactions energy: -385.596
where: short stacking energy: -155.429
Base-Backbone interact. energy: -1.273
local terms energy: -160.128994
where:
bonds (distance) C4'-P energy: -34.124
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -24.265
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -40.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -512.741067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.741067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.741067 (E_RNA)
where:
Base-Base interactions energy: -344.891
where: short stacking energy: -141.701
Base-Backbone interact. energy: -0.446
local terms energy: -167.403821
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -36.062
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -38.734
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: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -465.500973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.500973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.500973 (E_RNA)
where:
Base-Base interactions energy: -310.168
where: short stacking energy: -138.769
Base-Backbone interact. energy: -0.508
local terms energy: -154.825329
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -31.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -422.969022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.969022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.969022 (E_RNA)
where:
Base-Base interactions energy: -267.087
where: short stacking energy: -130.934
Base-Backbone interact. energy: -0.675
local terms energy: -155.206894
where:
bonds (distance) C4'-P energy: -38.134
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -24.064
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: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -390.120822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.120822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.120822 (E_RNA)
where:
Base-Base interactions energy: -241.955
where: short stacking energy: -108.269
Base-Backbone interact. energy: -0.817
local terms energy: -147.348352
where:
bonds (distance) C4'-P energy: -40.217
bonds (distance) P-C4' energy: -34.685
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -342.492012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.492012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.492012 (E_RNA)
where:
Base-Base interactions energy: -207.467
where: short stacking energy: -105.767
Base-Backbone interact. energy: 1.119
local terms energy: -136.143916
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -31.255
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -19.584
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: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -317.995470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.995470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.995470 (E_RNA)
where:
Base-Base interactions energy: -180.319
where: short stacking energy: -86.199
Base-Backbone interact. energy: -0.655
local terms energy: -137.021714
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -35.330
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -14.802
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: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -242.349585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.349585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.349585 (E_RNA)
where:
Base-Base interactions energy: -116.868
where: short stacking energy: -64.592
Base-Backbone interact. energy: 1.177
local terms energy: -126.658747
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -36.472
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -21.765
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -230.403998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.403998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.403998 (E_RNA)
where:
Base-Base interactions energy: -115.147
where: short stacking energy: -63.464
Base-Backbone interact. energy: 0.544
local terms energy: -118.930250
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.129 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -207.999081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.999081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.999081 (E_RNA)
where:
Base-Base interactions energy: -111.954
where: short stacking energy: -68.303
Base-Backbone interact. energy: 3.722
local terms energy: -99.766497
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -15.562
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: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -544.859759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.859759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.859759 (E_RNA)
where:
Base-Base interactions energy: -369.340
where: short stacking energy: -145.473
Base-Backbone interact. energy: -0.815
local terms energy: -174.704706
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -37.502
flat angles C4'-P-C4' energy: -41.109
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -34.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -532.296900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.296900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.296900 (E_RNA)
where:
Base-Base interactions energy: -352.155
where: short stacking energy: -153.353
Base-Backbone interact. energy: -0.815
local terms energy: -179.326348
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -44.430
flat angles P-C4'-P energy: -33.495
tors. eta vs tors. theta energy: -37.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -469.454416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.454416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.454416 (E_RNA)
where:
Base-Base interactions energy: -320.033
where: short stacking energy: -125.121
Base-Backbone interact. energy: -0.489
local terms energy: -148.932074
where:
bonds (distance) C4'-P energy: -37.115
bonds (distance) P-C4' energy: -40.290
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -29.356
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: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -470.039873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.039873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.039873 (E_RNA)
where:
Base-Base interactions energy: -300.051
where: short stacking energy: -131.991
Base-Backbone interact. energy: -1.361
local terms energy: -168.628483
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -37.000
flat angles C4'-P-C4' energy: -33.446
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -37.463
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: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -409.215963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.215963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.215963 (E_RNA)
where:
Base-Base interactions energy: -259.376
where: short stacking energy: -108.507
Base-Backbone interact. energy: -1.272
local terms energy: -148.792487
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -32.786
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -27.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.225 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -340.464832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.464832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.464832 (E_RNA)
where:
Base-Base interactions energy: -213.430
where: short stacking energy: -105.595
Base-Backbone interact. energy: -1.317
local terms energy: -125.797907
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.081 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -334.824156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.824156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.824156 (E_RNA)
where:
Base-Base interactions energy: -200.479
where: short stacking energy: -91.655
Base-Backbone interact. energy: -0.794
local terms energy: -133.551442
where:
bonds (distance) C4'-P energy: -29.387
bonds (distance) P-C4' energy: -37.670
flat angles C4'-P-C4' energy: -32.336
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -15.288
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: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -241.711180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.711180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.711180 (E_RNA)
where:
Base-Base interactions energy: -139.213
where: short stacking energy: -76.022
Base-Backbone interact. energy: -2.228
local terms energy: -100.269694
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: 3.192
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: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -242.162941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.162941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.162941 (E_RNA)
where:
Base-Base interactions energy: -138.028
where: short stacking energy: -80.735
Base-Backbone interact. energy: 2.006
local terms energy: -106.140865
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -26.753
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -8.872
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: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -218.301145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.301145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.301145 (E_RNA)
where:
Base-Base interactions energy: -104.569
where: short stacking energy: -57.519
Base-Backbone interact. energy: -0.684
local terms energy: -113.048481
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -2.781
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: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -550.581300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.581300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.581300 (E_RNA)
where:
Base-Base interactions energy: -366.326
where: short stacking energy: -167.269
Base-Backbone interact. energy: -0.784
local terms energy: -183.470600
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -37.755
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -27.575
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -521.943769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.943769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.943769 (E_RNA)
where:
Base-Base interactions energy: -361.887
where: short stacking energy: -138.493
Base-Backbone interact. energy: -0.613
local terms energy: -159.443877
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -37.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -476.955147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.955147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.955147 (E_RNA)
where:
Base-Base interactions energy: -316.434
where: short stacking energy: -121.851
Base-Backbone interact. energy: -1.629
local terms energy: -158.892391
where:
bonds (distance) C4'-P energy: -34.929
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -37.855
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -458.176650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.176650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.176650 (E_RNA)
where:
Base-Base interactions energy: -281.914
where: short stacking energy: -141.308
Base-Backbone interact. energy: -2.554
local terms energy: -173.708368
where:
bonds (distance) C4'-P energy: -36.848
bonds (distance) P-C4' energy: -33.671
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -21.808
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: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -343.095227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.095227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.095227 (E_RNA)
where:
Base-Base interactions energy: -206.823
where: short stacking energy: -98.823
Base-Backbone interact. energy: -0.862
local terms energy: -135.410665
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -33.424
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -24.760
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: 34
Temperature: 1.150000
Total energy: -346.624766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.624766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.624766 (E_RNA)
where:
Base-Base interactions energy: -224.205
where: short stacking energy: -93.344
Base-Backbone interact. energy: 0.903
local terms energy: -123.323378
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -12.406
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: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -347.220884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.220884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.220884 (E_RNA)
where:
Base-Base interactions energy: -206.659
where: short stacking energy: -94.726
Base-Backbone interact. energy: -1.695
local terms energy: -138.867248
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -34.922
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -17.465
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -241.186516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.186516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.186516 (E_RNA)
where:
Base-Base interactions energy: -130.530
where: short stacking energy: -68.472
Base-Backbone interact. energy: -0.677
local terms energy: -109.978713
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -29.571
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -234.815309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.815309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.815309 (E_RNA)
where:
Base-Base interactions energy: -122.075
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.752
local terms energy: -111.988747
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -21.913
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -165.310196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.310196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.310196 (E_RNA)
where:
Base-Base interactions energy: -60.933
where: short stacking energy: -48.499
Base-Backbone interact. energy: -0.703
local terms energy: -103.674808
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -37.243
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: 5.095
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: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -551.535409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.535409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.535409 (E_RNA)
where:
Base-Base interactions energy: -371.191
where: short stacking energy: -143.695
Base-Backbone interact. energy: -1.196
local terms energy: -179.148653
where:
bonds (distance) C4'-P energy: -32.198
bonds (distance) P-C4' energy: -38.504
flat angles C4'-P-C4' energy: -37.310
flat angles P-C4'-P energy: -27.099
tors. eta vs tors. theta energy: -44.039
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -537.630564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.630564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.630564 (E_RNA)
where:
Base-Base interactions energy: -376.003
where: short stacking energy: -154.528
Base-Backbone interact. energy: 1.251
local terms energy: -162.878890
where:
bonds (distance) C4'-P energy: -30.773
bonds (distance) P-C4' energy: -32.495
flat angles C4'-P-C4' energy: -38.744
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -38.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -455.466445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.466445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.466445 (E_RNA)
where:
Base-Base interactions energy: -306.216
where: short stacking energy: -119.351
Base-Backbone interact. energy: -0.867
local terms energy: -148.383797
where:
bonds (distance) C4'-P energy: -35.363
bonds (distance) P-C4' energy: -35.763
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -463.059429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.059429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.059429 (E_RNA)
where:
Base-Base interactions energy: -289.855
where: short stacking energy: -145.368
Base-Backbone interact. energy: -3.607
local terms energy: -169.597676
where:
bonds (distance) C4'-P energy: -32.533
bonds (distance) P-C4' energy: -34.099
flat angles C4'-P-C4' energy: -42.441
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -38.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -346.443359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.443359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.443359 (E_RNA)
where:
Base-Base interactions energy: -217.587
where: short stacking energy: -97.428
Base-Backbone interact. energy: -1.423
local terms energy: -127.486270
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -35.151
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.053 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -359.522098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.522098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.522098 (E_RNA)
where:
Base-Base interactions energy: -240.759
where: short stacking energy: -116.815
Base-Backbone interact. energy: -0.346
local terms energy: -118.416953
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -29.017
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: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -341.559692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.559692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.559692 (E_RNA)
where:
Base-Base interactions energy: -211.540
where: short stacking energy: -106.563
Base-Backbone interact. energy: -0.273
local terms energy: -129.746208
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -245.876779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.876779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.876779 (E_RNA)
where:
Base-Base interactions energy: -123.786
where: short stacking energy: -65.077
Base-Backbone interact. energy: -0.797
local terms energy: -121.293910
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -36.612
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -6.413
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -228.075353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.075353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.075353 (E_RNA)
where:
Base-Base interactions energy: -111.830
where: short stacking energy: -58.855
Base-Backbone interact. energy: -0.694
local terms energy: -115.551492
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -36.282
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -4.797
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: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -171.400867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.400867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.400867 (E_RNA)
where:
Base-Base interactions energy: -62.504
where: short stacking energy: -49.419
Base-Backbone interact. energy: -0.514
local terms energy: -108.382982
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: 3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -549.970501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.970501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.970501 (E_RNA)
where:
Base-Base interactions energy: -377.326
where: short stacking energy: -157.461
Base-Backbone interact. energy: -0.659
local terms energy: -171.985722
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -36.711
flat angles C4'-P-C4' energy: -41.034
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -37.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -519.036821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.036821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.036821 (E_RNA)
where:
Base-Base interactions energy: -358.600
where: short stacking energy: -144.424
Base-Backbone interact. energy: -0.520
local terms energy: -159.917103
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -38.101
flat angles C4'-P-C4' energy: -37.288
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -34.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -447.234306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.234306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.234306 (E_RNA)
where:
Base-Base interactions energy: -294.478
where: short stacking energy: -125.167
Base-Backbone interact. energy: -0.608
local terms energy: -152.148145
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -34.202
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -33.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -433.019413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.019413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.019413 (E_RNA)
where:
Base-Base interactions energy: -289.605
where: short stacking energy: -133.042
Base-Backbone interact. energy: 0.513
local terms energy: -143.928248
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -369.270095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.270095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.270095 (E_RNA)
where:
Base-Base interactions energy: -217.060
where: short stacking energy: -108.262
Base-Backbone interact. energy: -0.352
local terms energy: -151.857616
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -24.843
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -343.100419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.100419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.100419 (E_RNA)
where:
Base-Base interactions energy: -208.900
where: short stacking energy: -106.399
Base-Backbone interact. energy: -1.335
local terms energy: -132.866009
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -22.772
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: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -258.300884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.300884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.300884 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -60.334
Base-Backbone interact. energy: -2.167
local terms energy: -112.332011
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -37.034
flat angles C4'-P-C4' energy: -32.208
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: 3.779
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: 36
Temperature: 1.250000
Total energy: -318.293104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.293104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.293104 (E_RNA)
where:
Base-Base interactions energy: -200.202
where: short stacking energy: -88.867
Base-Backbone interact. energy: -0.823
local terms energy: -117.268133
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -18.314
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: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -230.954136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.954136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.954136 (E_RNA)
where:
Base-Base interactions energy: -121.194
where: short stacking energy: -65.977
Base-Backbone interact. energy: -0.641
local terms energy: -109.119471
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: 1.424
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: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -142.944156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.944156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.944156 (E_RNA)
where:
Base-Base interactions energy: -40.004
where: short stacking energy: -28.805
Base-Backbone interact. energy: -0.800
local terms energy: -102.140194
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: 11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -541.605109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.605109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.605109 (E_RNA)
where:
Base-Base interactions energy: -362.969
where: short stacking energy: -154.963
Base-Backbone interact. energy: 0.299
local terms energy: -178.935024
where:
bonds (distance) C4'-P energy: -35.381
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -43.703
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -40.279
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: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -528.687148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.687148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.687148 (E_RNA)
where:
Base-Base interactions energy: -356.184
where: short stacking energy: -149.560
Base-Backbone interact. energy: -1.737
local terms energy: -170.765864
where:
bonds (distance) C4'-P energy: -35.796
bonds (distance) P-C4' energy: -34.914
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -39.754
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: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -441.391181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.391181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.391181 (E_RNA)
where:
Base-Base interactions energy: -278.806
where: short stacking energy: -113.061
Base-Backbone interact. energy: -1.999
local terms energy: -160.585982
where:
bonds (distance) C4'-P energy: -29.295
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -35.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -432.953503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.953503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.953503 (E_RNA)
where:
Base-Base interactions energy: -269.739
where: short stacking energy: -107.928
Base-Backbone interact. energy: -1.133
local terms energy: -162.081759
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -37.504
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -23.618
tors. eta vs tors. theta energy: -32.965
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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -392.175097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.175097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.175097 (E_RNA)
where:
Base-Base interactions energy: -234.361
where: short stacking energy: -120.769
Base-Backbone interact. energy: -0.287
local terms energy: -157.527686
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -41.649
flat angles C4'-P-C4' energy: -37.938
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -32.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -331.946997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.946997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.946997 (E_RNA)
where:
Base-Base interactions energy: -200.519
where: short stacking energy: -97.854
Base-Backbone interact. energy: -0.624
local terms energy: -130.804277
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -33.464
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -19.148
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: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -265.624992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.624992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.624992 (E_RNA)
where:
Base-Base interactions energy: -142.970
where: short stacking energy: -71.858
Base-Backbone interact. energy: -0.230
local terms energy: -122.425400
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -33.011
flat angles C4'-P-C4' energy: -39.451
flat angles P-C4'-P energy: -22.410
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: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -310.140427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.140427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.140427 (E_RNA)
where:
Base-Base interactions energy: -191.988
where: short stacking energy: -79.006
Base-Backbone interact. energy: -0.356
local terms energy: -117.795600
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -32.071
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -6.326
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: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -242.176074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.176074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.176074 (E_RNA)
where:
Base-Base interactions energy: -142.782
where: short stacking energy: -54.989
Base-Backbone interact. energy: -1.914
local terms energy: -97.480172
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: 1.234
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: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -159.082396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.082396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.082396 (E_RNA)
where:
Base-Base interactions energy: -48.403
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.400
local terms energy: -110.278660
where:
bonds (distance) C4'-P energy: -40.067
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: 3.287
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: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -561.310264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.310264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.310264 (E_RNA)
where:
Base-Base interactions energy: -376.665
where: short stacking energy: -164.326
Base-Backbone interact. energy: -0.260
local terms energy: -184.385319
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -36.203
flat angles C4'-P-C4' energy: -40.298
flat angles P-C4'-P energy: -28.152
tors. eta vs tors. theta energy: -46.462
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: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -510.910652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.910652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.910652 (E_RNA)
where:
Base-Base interactions energy: -353.239
where: short stacking energy: -138.266
Base-Backbone interact. energy: -1.439
local terms energy: -156.232861
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -35.878
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -28.357
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: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -453.695701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.695701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.695701 (E_RNA)
where:
Base-Base interactions energy: -293.501
where: short stacking energy: -131.948
Base-Backbone interact. energy: 0.170
local terms energy: -160.364158
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -36.526
flat angles P-C4'-P energy: -26.724
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -422.423419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.423419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.423419 (E_RNA)
where:
Base-Base interactions energy: -266.662
where: short stacking energy: -127.278
Base-Backbone interact. energy: -0.615
local terms energy: -155.146339
where:
bonds (distance) C4'-P energy: -32.853
bonds (distance) P-C4' energy: -41.534
flat angles C4'-P-C4' energy: -34.742
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -27.368
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: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -388.254734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.254734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.254734 (E_RNA)
where:
Base-Base interactions energy: -237.824
where: short stacking energy: -118.507
Base-Backbone interact. energy: 0.321
local terms energy: -150.751576
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -37.168
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -26.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -319.962188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.962188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.962188 (E_RNA)
where:
Base-Base interactions energy: -171.357
where: short stacking energy: -98.582
Base-Backbone interact. energy: -0.191
local terms energy: -148.413617
where:
bonds (distance) C4'-P energy: -36.980
bonds (distance) P-C4' energy: -35.117
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -29.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -327.773280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.773280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.773280 (E_RNA)
where:
Base-Base interactions energy: -197.383
where: short stacking energy: -86.265
Base-Backbone interact. energy: -0.191
local terms energy: -131.744862
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.545 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -254.693672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.693672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.693672 (E_RNA)
where:
Base-Base interactions energy: -119.713
where: short stacking energy: -74.646
Base-Backbone interact. energy: -0.807
local terms energy: -134.173742
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -36.219
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -253.476412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.476412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.476412 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -69.935
Base-Backbone interact. energy: -1.080
local terms energy: -105.743188
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -39.364
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -18.795
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: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -187.543895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.543895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.543895 (E_RNA)
where:
Base-Base interactions energy: -76.612
where: short stacking energy: -44.101
Base-Backbone interact. energy: 0.286
local terms energy: -111.217787
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -34.451
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -20.103
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -555.425040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.425040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.425040 (E_RNA)
where:
Base-Base interactions energy: -377.793
where: short stacking energy: -158.452
Base-Backbone interact. energy: 0.107
local terms energy: -177.738698
where:
bonds (distance) C4'-P energy: -29.167
bonds (distance) P-C4' energy: -35.785
flat angles C4'-P-C4' energy: -42.272
flat angles P-C4'-P energy: -30.123
tors. eta vs tors. theta energy: -40.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -505.066419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.066419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.066419 (E_RNA)
where:
Base-Base interactions energy: -342.032
where: short stacking energy: -147.427
Base-Backbone interact. energy: 2.923
local terms energy: -165.957693
where:
bonds (distance) C4'-P energy: -29.143
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -35.627
flat angles P-C4'-P energy: -29.116
tors. eta vs tors. theta energy: -34.959
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: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -469.141227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.141227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.141227 (E_RNA)
where:
Base-Base interactions energy: -299.013
where: short stacking energy: -147.293
Base-Backbone interact. energy: -0.229
local terms energy: -171.999719
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -40.563
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -39.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.100 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -478.675865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.675865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.675865 (E_RNA)
where:
Base-Base interactions energy: -319.299
where: short stacking energy: -133.265
Base-Backbone interact. energy: -0.706
local terms energy: -158.671516
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -36.082
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -38.138
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: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -366.761373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.761373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.761373 (E_RNA)
where:
Base-Base interactions energy: -214.548
where: short stacking energy: -108.566
Base-Backbone interact. energy: 2.174
local terms energy: -154.387884
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -38.760
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -340.917411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.917411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.917411 (E_RNA)
where:
Base-Base interactions energy: -200.465
where: short stacking energy: -105.759
Base-Backbone interact. energy: -0.746
local terms energy: -139.706718
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -25.308
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: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -276.959574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.959574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.959574 (E_RNA)
where:
Base-Base interactions energy: -159.445
where: short stacking energy: -79.219
Base-Backbone interact. energy: 1.485
local terms energy: -119.000008
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -21.113
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: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -259.921972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.921972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.921972 (E_RNA)
where:
Base-Base interactions energy: -133.701
where: short stacking energy: -62.727
Base-Backbone interact. energy: -1.041
local terms energy: -125.180782
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -223.944705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.944705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.944705 (E_RNA)
where:
Base-Base interactions energy: -110.563
where: short stacking energy: -58.017
Base-Backbone interact. energy: 0.368
local terms energy: -113.749319
where:
bonds (distance) C4'-P energy: -37.926
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -2.264
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: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -154.960402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.960402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.960402 (E_RNA)
where:
Base-Base interactions energy: -45.765
where: short stacking energy: -29.290
Base-Backbone interact. energy: 1.128
local terms energy: -110.324138
where:
bonds (distance) C4'-P energy: -38.328
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: 3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -558.751632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.751632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.751632 (E_RNA)
where:
Base-Base interactions energy: -377.785
where: short stacking energy: -160.525
Base-Backbone interact. energy: -0.590
local terms energy: -180.376613
where:
bonds (distance) C4'-P energy: -35.526
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -27.666
tors. eta vs tors. theta energy: -44.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -486.503257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.503257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.503257 (E_RNA)
where:
Base-Base interactions energy: -310.840
where: short stacking energy: -129.996
Base-Backbone interact. energy: -2.026
local terms energy: -174.175072
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -41.180
flat angles C4'-P-C4' energy: -35.830
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -30.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.539 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -499.239730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.239730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.239730 (E_RNA)
where:
Base-Base interactions energy: -333.767
where: short stacking energy: -129.681
Base-Backbone interact. energy: -1.417
local terms energy: -164.056008
where:
bonds (distance) C4'-P energy: -38.941
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -36.392
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: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -448.988312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.988312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.988312 (E_RNA)
where:
Base-Base interactions energy: -285.605
where: short stacking energy: -135.614
Base-Backbone interact. energy: 0.873
local terms energy: -165.275745
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -36.901
flat angles C4'-P-C4' energy: -37.916
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -37.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.019 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -355.748762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.748762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.748762 (E_RNA)
where:
Base-Base interactions energy: -221.211
where: short stacking energy: -91.249
Base-Backbone interact. energy: -0.651
local terms energy: -133.886228
where:
bonds (distance) C4'-P energy: -35.108
bonds (distance) P-C4' energy: -33.385
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -18.934
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: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -323.827034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.827034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.827034 (E_RNA)
where:
Base-Base interactions energy: -198.162
where: short stacking energy: -96.396
Base-Backbone interact. energy: -2.053
local terms energy: -123.612296
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -275.050466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.050466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.050466 (E_RNA)
where:
Base-Base interactions energy: -157.141
where: short stacking energy: -91.309
Base-Backbone interact. energy: -1.666
local terms energy: -116.243283
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -240.687469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.687469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.687469 (E_RNA)
where:
Base-Base interactions energy: -137.171
where: short stacking energy: -60.206
Base-Backbone interact. energy: 0.682
local terms energy: -104.198039
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -39.648
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: 6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -238.913666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.913666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.913666 (E_RNA)
where:
Base-Base interactions energy: -124.652
where: short stacking energy: -65.727
Base-Backbone interact. energy: 0.398
local terms energy: -114.997072
where:
bonds (distance) C4'-P energy: -29.554
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -18.174
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: 0.337 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -150.276354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.276354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.276354 (E_RNA)
where:
Base-Base interactions energy: -50.256
where: short stacking energy: -24.074
Base-Backbone interact. energy: -2.683
local terms energy: -97.336933
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: 5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -556.560203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.560203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.560203 (E_RNA)
where:
Base-Base interactions energy: -374.105
where: short stacking energy: -151.880
Base-Backbone interact. energy: -0.471
local terms energy: -181.984545
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -38.560
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -41.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -520.721826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.721826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.721826 (E_RNA)
where:
Base-Base interactions energy: -346.554
where: short stacking energy: -123.194
Base-Backbone interact. energy: -1.852
local terms energy: -172.404971
where:
bonds (distance) C4'-P energy: -34.180
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -41.157
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -37.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.089 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -490.702118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.702118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.702118 (E_RNA)
where:
Base-Base interactions energy: -329.532
where: short stacking energy: -130.295
Base-Backbone interact. energy: -2.075
local terms energy: -159.094936
where:
bonds (distance) C4'-P energy: -32.566
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -29.939
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: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -472.535234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.535234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.535234 (E_RNA)
where:
Base-Base interactions energy: -300.659
where: short stacking energy: -146.609
Base-Backbone interact. energy: 0.793
local terms energy: -173.048008
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -36.841
flat angles C4'-P-C4' energy: -39.961
flat angles P-C4'-P energy: -23.761
tors. eta vs tors. theta energy: -40.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.378 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -367.871375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.871375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.871375 (E_RNA)
where:
Base-Base interactions energy: -219.514
where: short stacking energy: -108.263
Base-Backbone interact. energy: -1.015
local terms energy: -147.342617
where:
bonds (distance) C4'-P energy: -34.688
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -21.334
tors. eta vs tors. theta energy: -28.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -367.606660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.606660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.606660 (E_RNA)
where:
Base-Base interactions energy: -239.915
where: short stacking energy: -107.008
Base-Backbone interact. energy: -0.827
local terms energy: -126.863874
where:
bonds (distance) C4'-P energy: -31.060
bonds (distance) P-C4' energy: -35.183
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -18.344
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: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -273.340546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.340546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.340546 (E_RNA)
where:
Base-Base interactions energy: -136.439
where: short stacking energy: -89.190
Base-Backbone interact. energy: -0.556
local terms energy: -136.465857
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -36.576
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -22.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.120 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -250.049481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.049481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.049481 (E_RNA)
where:
Base-Base interactions energy: -116.316
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.531
local terms energy: -133.203104
where:
bonds (distance) C4'-P energy: -32.536
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: -11.817
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: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -239.870030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.870030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.870030 (E_RNA)
where:
Base-Base interactions energy: -116.582
where: short stacking energy: -50.454
Base-Backbone interact. energy: 0.376
local terms energy: -123.664008
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -35.406
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: 2.460
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: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -171.091339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.091339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.091339 (E_RNA)
where:
Base-Base interactions energy: -58.899
where: short stacking energy: -52.503
Base-Backbone interact. energy: 0.805
local terms energy: -115.755230
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: 1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.758 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -542.189630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.189630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.189630 (E_RNA)
where:
Base-Base interactions energy: -361.291
where: short stacking energy: -158.379
Base-Backbone interact. energy: 0.322
local terms energy: -181.220099
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -35.052
flat angles C4'-P-C4' energy: -40.670
flat angles P-C4'-P energy: -27.253
tors. eta vs tors. theta energy: -43.613
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: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -515.802946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.802946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.802946 (E_RNA)
where:
Base-Base interactions energy: -341.211
where: short stacking energy: -146.937
Base-Backbone interact. energy: -0.219
local terms energy: -174.373672
where:
bonds (distance) C4'-P energy: -35.535
bonds (distance) P-C4' energy: -36.736
flat angles C4'-P-C4' energy: -37.248
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -40.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -512.232271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.232271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.232271 (E_RNA)
where:
Base-Base interactions energy: -345.265
where: short stacking energy: -135.845
Base-Backbone interact. energy: -1.068
local terms energy: -165.899608
where:
bonds (distance) C4'-P energy: -36.175
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -38.755
flat angles P-C4'-P energy: -23.380
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: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -420.111483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.111483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.111483 (E_RNA)
where:
Base-Base interactions energy: -262.735
where: short stacking energy: -121.047
Base-Backbone interact. energy: -0.483
local terms energy: -157.013281
where:
bonds (distance) C4'-P energy: -36.427
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -34.414
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -28.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.120 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -360.266945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.266945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.266945 (E_RNA)
where:
Base-Base interactions energy: -204.651
where: short stacking energy: -99.493
Base-Backbone interact. energy: 0.235
local terms energy: -155.850798
where:
bonds (distance) C4'-P energy: -41.230
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -24.145
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: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -353.957655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.957655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.957655 (E_RNA)
where:
Base-Base interactions energy: -205.161
where: short stacking energy: -97.656
Base-Backbone interact. energy: -0.861
local terms energy: -148.037989
where:
bonds (distance) C4'-P energy: -34.138
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -28.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -242.442494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.442494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.442494 (E_RNA)
where:
Base-Base interactions energy: -127.181
where: short stacking energy: -74.453
Base-Backbone interact. energy: 1.797
local terms energy: -117.058334
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -32.700
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -12.410
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: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -255.885111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.885111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.885111 (E_RNA)
where:
Base-Base interactions energy: -120.868
where: short stacking energy: -76.625
Base-Backbone interact. energy: -0.526
local terms energy: -134.490880
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -41.196
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -24.450
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -237.361673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.361673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.361673 (E_RNA)
where:
Base-Base interactions energy: -133.567
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.459
local terms energy: -103.336373
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -3.163
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: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -157.433594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.433594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.433594 (E_RNA)
where:
Base-Base interactions energy: -47.817
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.400
local terms energy: -109.216833
where:
bonds (distance) C4'-P energy: -37.776
bonds (distance) P-C4' energy: -32.527
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -553.840953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.840953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.840953 (E_RNA)
where:
Base-Base interactions energy: -363.315
where: short stacking energy: -157.924
Base-Backbone interact. energy: 3.553
local terms energy: -194.078529
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -40.102
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -43.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -522.785429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.785429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.785429 (E_RNA)
where:
Base-Base interactions energy: -349.906
where: short stacking energy: -142.957
Base-Backbone interact. energy: -0.115
local terms energy: -172.764267
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -41.334
flat angles C4'-P-C4' energy: -37.048
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -37.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -510.489300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.489300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.489300 (E_RNA)
where:
Base-Base interactions energy: -340.138
where: short stacking energy: -136.972
Base-Backbone interact. energy: -0.684
local terms energy: -169.667999
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -40.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -405.772708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.772708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.772708 (E_RNA)
where:
Base-Base interactions energy: -251.539
where: short stacking energy: -120.491
Base-Backbone interact. energy: -1.472
local terms energy: -152.923271
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -22.349
tors. eta vs tors. theta energy: -30.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.161 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -405.683475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.683475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.683475 (E_RNA)
where:
Base-Base interactions energy: -239.271
where: short stacking energy: -121.383
Base-Backbone interact. energy: -1.427
local terms energy: -164.985641
where:
bonds (distance) C4'-P energy: -33.805
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -28.360
tors. eta vs tors. theta energy: -29.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -337.624725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.624725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.624725 (E_RNA)
where:
Base-Base interactions energy: -186.998
where: short stacking energy: -87.720
Base-Backbone interact. energy: -0.524
local terms energy: -150.103521
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -284.516218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.516218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.516218 (E_RNA)
where:
Base-Base interactions energy: -149.675
where: short stacking energy: -76.773
Base-Backbone interact. energy: -0.361
local terms energy: -134.479597
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -33.093
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -15.216
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: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -251.549600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.549600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.549600 (E_RNA)
where:
Base-Base interactions energy: -130.012
where: short stacking energy: -72.446
Base-Backbone interact. energy: -0.681
local terms energy: -120.856750
where:
bonds (distance) C4'-P energy: -29.482
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -225.924808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.924808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.924808 (E_RNA)
where:
Base-Base interactions energy: -116.434
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.810
local terms energy: -108.680414
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -33.492
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: -1.229
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: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -176.269235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.269235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.269235 (E_RNA)
where:
Base-Base interactions energy: -66.262
where: short stacking energy: -51.468
Base-Backbone interact. energy: 0.999
local terms energy: -111.005518
where:
bonds (distance) C4'-P energy: -36.611
bonds (distance) P-C4' energy: -34.787
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: 4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -547.943574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.943574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.943574 (E_RNA)
where:
Base-Base interactions energy: -364.857
where: short stacking energy: -152.144
Base-Backbone interact. energy: -0.436
local terms energy: -182.649708
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -41.080
flat angles P-C4'-P energy: -28.979
tors. eta vs tors. theta energy: -44.690
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: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -512.857905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.857905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.857905 (E_RNA)
where:
Base-Base interactions energy: -340.156
where: short stacking energy: -138.346
Base-Backbone interact. energy: -0.186
local terms energy: -172.515896
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -40.209
flat angles C4'-P-C4' energy: -39.480
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -34.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -498.208961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.208961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.208961 (E_RNA)
where:
Base-Base interactions energy: -333.492
where: short stacking energy: -133.646
Base-Backbone interact. energy: -1.160
local terms energy: -163.556568
where:
bonds (distance) C4'-P energy: -35.559
bonds (distance) P-C4' energy: -38.580
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -18.484
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: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -432.546116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.546116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.546116 (E_RNA)
where:
Base-Base interactions energy: -277.371
where: short stacking energy: -126.397
Base-Backbone interact. energy: -0.165
local terms energy: -155.010483
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -36.892
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -27.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -409.193224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.193224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.193224 (E_RNA)
where:
Base-Base interactions energy: -255.405
where: short stacking energy: -125.284
Base-Backbone interact. energy: 0.236
local terms energy: -154.024928
where:
bonds (distance) C4'-P energy: -33.582
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -40.113
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -33.275
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: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -336.791330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.791330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.791330 (E_RNA)
where:
Base-Base interactions energy: -202.272
where: short stacking energy: -96.419
Base-Backbone interact. energy: 1.840
local terms energy: -136.359839
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -269.828722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.828722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.828722 (E_RNA)
where:
Base-Base interactions energy: -138.917
where: short stacking energy: -63.855
Base-Backbone interact. energy: -0.645
local terms energy: -130.266715
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: -13.061
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: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -258.451556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.451556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.451556 (E_RNA)
where:
Base-Base interactions energy: -132.518
where: short stacking energy: -89.672
Base-Backbone interact. energy: -0.847
local terms energy: -125.465120
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.378 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -222.271820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.271820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.271820 (E_RNA)
where:
Base-Base interactions energy: -118.898
where: short stacking energy: -68.058
Base-Backbone interact. energy: 1.410
local terms energy: -104.783193
where:
bonds (distance) C4'-P energy: -33.370
bonds (distance) P-C4' energy: -27.813
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -161.786023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.786023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.786023 (E_RNA)
where:
Base-Base interactions energy: -65.272
where: short stacking energy: -39.371
Base-Backbone interact. energy: -1.186
local terms energy: -95.328094
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -33.954
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: 11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -544.684629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.684629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.684629 (E_RNA)
where:
Base-Base interactions energy: -365.422
where: short stacking energy: -151.075
Base-Backbone interact. energy: 0.535
local terms energy: -179.797609
where:
bonds (distance) C4'-P energy: -35.889
bonds (distance) P-C4' energy: -38.843
flat angles C4'-P-C4' energy: -41.464
flat angles P-C4'-P energy: -25.425
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: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -543.853882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.853882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.853882 (E_RNA)
where:
Base-Base interactions energy: -374.741
where: short stacking energy: -142.098
Base-Backbone interact. energy: -0.990
local terms energy: -168.122974
where:
bonds (distance) C4'-P energy: -36.311
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -36.665
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -32.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -481.780928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.780928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.780928 (E_RNA)
where:
Base-Base interactions energy: -331.334
where: short stacking energy: -121.923
Base-Backbone interact. energy: -0.826
local terms energy: -149.621523
where:
bonds (distance) C4'-P energy: -28.297
bonds (distance) P-C4' energy: -29.560
flat angles C4'-P-C4' energy: -34.521
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -36.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -446.007318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.007318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.007318 (E_RNA)
where:
Base-Base interactions energy: -285.531
where: short stacking energy: -111.859
Base-Backbone interact. energy: -1.752
local terms energy: -158.724717
where:
bonds (distance) C4'-P energy: -35.414
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -30.086
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: -29.831
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: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -398.555294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.555294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.555294 (E_RNA)
where:
Base-Base interactions energy: -235.886
where: short stacking energy: -121.344
Base-Backbone interact. energy: -0.802
local terms energy: -161.867563
where:
bonds (distance) C4'-P energy: -34.637
bonds (distance) P-C4' energy: -35.175
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -33.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -321.043839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.043839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.043839 (E_RNA)
where:
Base-Base interactions energy: -185.684
where: short stacking energy: -93.659
Base-Backbone interact. energy: 0.180
local terms energy: -135.540580
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -33.575
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -16.133
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: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -274.115881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.115881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.115881 (E_RNA)
where:
Base-Base interactions energy: -162.195
where: short stacking energy: -81.060
Base-Backbone interact. energy: -0.626
local terms energy: -111.295471
where:
bonds (distance) C4'-P energy: -30.021
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -268.615976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.615976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.615976 (E_RNA)
where:
Base-Base interactions energy: -141.549
where: short stacking energy: -78.950
Base-Backbone interact. energy: -0.449
local terms energy: -126.618181
where:
bonds (distance) C4'-P energy: -34.731
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -240.997856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.997856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.997856 (E_RNA)
where:
Base-Base interactions energy: -133.933
where: short stacking energy: -62.890
Base-Backbone interact. energy: -0.780
local terms energy: -106.285009
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -155.663820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.663820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.663820 (E_RNA)
where:
Base-Base interactions energy: -58.842
where: short stacking energy: -42.900
Base-Backbone interact. energy: -0.101
local terms energy: -96.721132
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: 7.787
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: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -564.551968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.551968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.551968 (E_RNA)
where:
Base-Base interactions energy: -401.870
where: short stacking energy: -148.975
Base-Backbone interact. energy: -0.494
local terms energy: -162.188070
where:
bonds (distance) C4'-P energy: -29.011
bonds (distance) P-C4' energy: -40.595
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -34.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -535.309848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.309848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.309848 (E_RNA)
where:
Base-Base interactions energy: -369.685
where: short stacking energy: -153.930
Base-Backbone interact. energy: -1.214
local terms energy: -164.410940
where:
bonds (distance) C4'-P energy: -34.723
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -42.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -486.603328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.603328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.603328 (E_RNA)
where:
Base-Base interactions energy: -321.435
where: short stacking energy: -124.869
Base-Backbone interact. energy: -0.924
local terms energy: -164.243737
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -42.014
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -35.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -430.356604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.356604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.356604 (E_RNA)
where:
Base-Base interactions energy: -271.929
where: short stacking energy: -121.266
Base-Backbone interact. energy: 0.558
local terms energy: -160.381350
where:
bonds (distance) C4'-P energy: -33.117
bonds (distance) P-C4' energy: -37.976
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -35.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.395 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -407.137744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.137744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.137744 (E_RNA)
where:
Base-Base interactions energy: -266.435
where: short stacking energy: -108.298
Base-Backbone interact. energy: -0.029
local terms energy: -140.674060
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -28.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -342.949555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.949555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.949555 (E_RNA)
where:
Base-Base interactions energy: -199.567
where: short stacking energy: -93.851
Base-Backbone interact. energy: -0.555
local terms energy: -143.793576
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.966 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -270.980987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.980987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.980987 (E_RNA)
where:
Base-Base interactions energy: -153.346
where: short stacking energy: -75.073
Base-Backbone interact. energy: -0.960
local terms energy: -116.937769
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.262 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -250.364430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.364430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.364430 (E_RNA)
where:
Base-Base interactions energy: -130.612
where: short stacking energy: -83.671
Base-Backbone interact. energy: -0.241
local terms energy: -119.512188
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -257.305788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.305788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.305788 (E_RNA)
where:
Base-Base interactions energy: -137.508
where: short stacking energy: -71.508
Base-Backbone interact. energy: -1.371
local terms energy: -118.426504
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -155.922566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.922566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.922566 (E_RNA)
where:
Base-Base interactions energy: -57.440
where: short stacking energy: -40.785
Base-Backbone interact. energy: -0.750
local terms energy: -97.733358
where:
bonds (distance) C4'-P energy: -25.118
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -547.647358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.647358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.647358 (E_RNA)
where:
Base-Base interactions energy: -376.061
where: short stacking energy: -136.491
Base-Backbone interact. energy: -0.994
local terms energy: -170.592661
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -41.687
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -35.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -507.899155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.899155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.899155 (E_RNA)
where:
Base-Base interactions energy: -344.035
where: short stacking energy: -137.364
Base-Backbone interact. energy: 0.343
local terms energy: -164.207576
where:
bonds (distance) C4'-P energy: -26.348
bonds (distance) P-C4' energy: -38.073
flat angles C4'-P-C4' energy: -33.912
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -38.737
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: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -499.986022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.986022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.986022 (E_RNA)
where:
Base-Base interactions energy: -345.572
where: short stacking energy: -126.570
Base-Backbone interact. energy: -1.970
local terms energy: -152.443555
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -25.814
tors. eta vs tors. theta energy: -31.955
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: 47
Temperature: 1.050000
Total energy: -418.570518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.570518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.570518 (E_RNA)
where:
Base-Base interactions energy: -261.424
where: short stacking energy: -116.500
Base-Backbone interact. energy: -0.681
local terms energy: -156.465712
where:
bonds (distance) C4'-P energy: -38.509
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -25.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -351.257511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.257511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.257511 (E_RNA)
where:
Base-Base interactions energy: -213.957
where: short stacking energy: -104.677
Base-Backbone interact. energy: -0.176
local terms energy: -137.124315
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -22.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -369.472225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.472225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.472225 (E_RNA)
where:
Base-Base interactions energy: -233.418
where: short stacking energy: -115.417
Base-Backbone interact. energy: -2.146
local terms energy: -133.908560
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -22.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -286.973512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.973512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.973512 (E_RNA)
where:
Base-Base interactions energy: -169.253
where: short stacking energy: -91.763
Base-Backbone interact. energy: -0.952
local terms energy: -116.768183
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -25.514
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -263.170034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.170034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.170034 (E_RNA)
where:
Base-Base interactions energy: -142.864
where: short stacking energy: -74.773
Base-Backbone interact. energy: -1.117
local terms energy: -119.189834
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -35.091
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -251.083439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.083439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.083439 (E_RNA)
where:
Base-Base interactions energy: -123.375
where: short stacking energy: -72.904
Base-Backbone interact. energy: -0.304
local terms energy: -127.405102
where:
bonds (distance) C4'-P energy: -35.057
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -25.041
tors. eta vs tors. theta energy: -14.893
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: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -147.908211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.908211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.908211 (E_RNA)
where:
Base-Base interactions energy: -51.649
where: short stacking energy: -37.950
Base-Backbone interact. energy: 2.774
local terms energy: -99.033240
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -38.168
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: 14.217
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: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -533.633282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.633282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.633282 (E_RNA)
where:
Base-Base interactions energy: -365.235
where: short stacking energy: -153.330
Base-Backbone interact. energy: -1.563
local terms energy: -166.834686
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -34.224
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: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -533.039050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.039050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.039050 (E_RNA)
where:
Base-Base interactions energy: -362.420
where: short stacking energy: -128.315
Base-Backbone interact. energy: -3.790
local terms energy: -166.828864
where:
bonds (distance) C4'-P energy: -40.114
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -36.909
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -33.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -484.431079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.431079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.431079 (E_RNA)
where:
Base-Base interactions energy: -316.410
where: short stacking energy: -126.237
Base-Backbone interact. energy: -1.282
local terms energy: -167.596262
where:
bonds (distance) C4'-P energy: -37.121
bonds (distance) P-C4' energy: -37.417
flat angles C4'-P-C4' energy: -39.843
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -29.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.857 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -394.779026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.779026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.779026 (E_RNA)
where:
Base-Base interactions energy: -246.995
where: short stacking energy: -106.834
Base-Backbone interact. energy: -0.617
local terms energy: -147.167911
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -388.412874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.412874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.412874 (E_RNA)
where:
Base-Base interactions energy: -231.626
where: short stacking energy: -118.893
Base-Backbone interact. energy: -0.201
local terms energy: -156.586193
where:
bonds (distance) C4'-P energy: -37.802
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -32.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -339.249646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.249646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.249646 (E_RNA)
where:
Base-Base interactions energy: -201.892
where: short stacking energy: -107.391
Base-Backbone interact. energy: -1.123
local terms energy: -136.234171
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -31.791
flat angles C4'-P-C4' energy: -32.245
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -28.358
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: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -318.013826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.013826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.013826 (E_RNA)
where:
Base-Base interactions energy: -164.946
where: short stacking energy: -94.540
Base-Backbone interact. energy: 0.199
local terms energy: -153.266900
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -34.920
flat angles P-C4'-P energy: -28.469
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -297.781942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.781942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.781942 (E_RNA)
where:
Base-Base interactions energy: -184.476
where: short stacking energy: -77.607
Base-Backbone interact. energy: 0.330
local terms energy: -113.636103
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -30.273
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -15.207
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: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -227.535355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.535355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.535355 (E_RNA)
where:
Base-Base interactions energy: -120.198
where: short stacking energy: -54.455
Base-Backbone interact. energy: 3.381
local terms energy: -110.718015
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -21.667
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: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -155.440175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.440175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.440175 (E_RNA)
where:
Base-Base interactions energy: -50.695
where: short stacking energy: -39.973
Base-Backbone interact. energy: 0.175
local terms energy: -104.919950
where:
bonds (distance) C4'-P energy: -26.033
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -32.347
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: 2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -528.810038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.810038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.810038 (E_RNA)
where:
Base-Base interactions energy: -363.154
where: short stacking energy: -161.961
Base-Backbone interact. energy: 1.411
local terms energy: -167.066572
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -43.247
flat angles P-C4'-P energy: -26.396
tors. eta vs tors. theta energy: -35.749
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: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -547.211869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.211869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.211869 (E_RNA)
where:
Base-Base interactions energy: -387.945
where: short stacking energy: -136.691
Base-Backbone interact. energy: -0.856
local terms energy: -158.410892
where:
bonds (distance) C4'-P energy: -34.690
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -32.828
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: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -497.915894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.915894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.915894 (E_RNA)
where:
Base-Base interactions energy: -351.530
where: short stacking energy: -139.411
Base-Backbone interact. energy: 3.446
local terms energy: -149.831969
where:
bonds (distance) C4'-P energy: -33.458
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -33.691
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: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -403.908436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.908436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.908436 (E_RNA)
where:
Base-Base interactions energy: -251.996
where: short stacking energy: -116.013
Base-Backbone interact. energy: 0.001
local terms energy: -151.913565
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -35.277
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -28.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -364.141567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.141567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.141567 (E_RNA)
where:
Base-Base interactions energy: -222.376
where: short stacking energy: -92.481
Base-Backbone interact. energy: 0.101
local terms energy: -141.866675
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -32.250
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -20.751
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -342.699613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.699613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.699613 (E_RNA)
where:
Base-Base interactions energy: -198.728
where: short stacking energy: -104.625
Base-Backbone interact. energy: -1.671
local terms energy: -142.300213
where:
bonds (distance) C4'-P energy: -23.962
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -22.103
tors. eta vs tors. theta energy: -26.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -276.945258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.945258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.945258 (E_RNA)
where:
Base-Base interactions energy: -160.101
where: short stacking energy: -66.849
Base-Backbone interact. energy: -1.262
local terms energy: -115.582490
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -32.338
flat angles C4'-P-C4' energy: -28.707
flat angles P-C4'-P energy: -16.825
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: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -289.361939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.361939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.361939 (E_RNA)
where:
Base-Base interactions energy: -171.391
where: short stacking energy: -77.977
Base-Backbone interact. energy: -2.172
local terms energy: -116.411429
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.613 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -234.278777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.278777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.278777 (E_RNA)
where:
Base-Base interactions energy: -128.026
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.756
local terms energy: -105.496884
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -33.460
flat angles C4'-P-C4' energy: -28.585
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -166.343593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.343593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.343593 (E_RNA)
where:
Base-Base interactions energy: -52.424
where: short stacking energy: -48.263
Base-Backbone interact. energy: -0.216
local terms energy: -113.703620
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -42.211
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -12.689
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: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -561.126113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.126113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.126113 (E_RNA)
where:
Base-Base interactions energy: -401.086
where: short stacking energy: -136.031
Base-Backbone interact. energy: -0.438
local terms energy: -159.602403
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -21.096
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: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -522.569341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.569341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.569341 (E_RNA)
where:
Base-Base interactions energy: -331.130
where: short stacking energy: -146.692
Base-Backbone interact. energy: -0.727
local terms energy: -190.711960
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -37.028
flat angles C4'-P-C4' energy: -40.077
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -46.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -515.696249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.696249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.696249 (E_RNA)
where:
Base-Base interactions energy: -349.900
where: short stacking energy: -145.694
Base-Backbone interact. energy: -2.027
local terms energy: -163.994260
where:
bonds (distance) C4'-P energy: -33.312
bonds (distance) P-C4' energy: -35.463
flat angles C4'-P-C4' energy: -33.499
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -40.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.225 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -426.359690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.359690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.359690 (E_RNA)
where:
Base-Base interactions energy: -275.417
where: short stacking energy: -126.421
Base-Backbone interact. energy: -0.906
local terms energy: -150.036365
where:
bonds (distance) C4'-P energy: -36.883
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -35.777
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -22.384
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: 50
Temperature: 1.100000
Total energy: -383.601065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.601065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.601065 (E_RNA)
where:
Base-Base interactions energy: -242.446
where: short stacking energy: -106.217
Base-Backbone interact. energy: 0.141
local terms energy: -141.295529
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -33.664
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -364.617332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.617332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.617332 (E_RNA)
where:
Base-Base interactions energy: -210.759
where: short stacking energy: -112.006
Base-Backbone interact. energy: -0.347
local terms energy: -153.510586
where:
bonds (distance) C4'-P energy: -36.112
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -33.806
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -29.213
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -294.182577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.182577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.182577 (E_RNA)
where:
Base-Base interactions energy: -172.044
where: short stacking energy: -83.668
Base-Backbone interact. energy: 2.896
local terms energy: -125.034566
where:
bonds (distance) C4'-P energy: -35.443
bonds (distance) P-C4' energy: -34.293
flat angles C4'-P-C4' energy: -32.336
flat angles P-C4'-P energy: -19.066
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: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -264.531132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.531132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.531132 (E_RNA)
where:
Base-Base interactions energy: -159.503
where: short stacking energy: -73.393
Base-Backbone interact. energy: -1.080
local terms energy: -103.948149
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -236.824268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.824268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.824268 (E_RNA)
where:
Base-Base interactions energy: -117.721
where: short stacking energy: -57.082
Base-Backbone interact. energy: 0.270
local terms energy: -119.373039
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -157.504168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.504168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.504168 (E_RNA)
where:
Base-Base interactions energy: -54.426
where: short stacking energy: -46.070
Base-Backbone interact. energy: -0.730
local terms energy: -102.347397
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -28.005
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: 3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -575.390806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.390806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.390806 (E_RNA)
where:
Base-Base interactions energy: -410.131
where: short stacking energy: -135.645
Base-Backbone interact. energy: -3.310
local terms energy: -161.949450
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -33.708
flat angles C4'-P-C4' energy: -40.475
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -35.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -524.396654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.396654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.396654 (E_RNA)
where:
Base-Base interactions energy: -346.336
where: short stacking energy: -147.336
Base-Backbone interact. energy: -0.694
local terms energy: -177.464890
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -35.879
flat angles C4'-P-C4' energy: -40.085
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -41.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.098 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -509.376990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.376990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.376990 (E_RNA)
where:
Base-Base interactions energy: -348.946
where: short stacking energy: -145.404
Base-Backbone interact. energy: -1.585
local terms energy: -158.846612
where:
bonds (distance) C4'-P energy: -34.159
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: -35.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -400.149464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.149464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.149464 (E_RNA)
where:
Base-Base interactions energy: -239.243
where: short stacking energy: -104.338
Base-Backbone interact. energy: -1.331
local terms energy: -159.575701
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -39.322
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -26.814
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: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -391.372754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.372754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.372754 (E_RNA)
where:
Base-Base interactions energy: -239.984
where: short stacking energy: -114.671
Base-Backbone interact. energy: -0.444
local terms energy: -150.944595
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -18.178
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: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -351.004539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.004539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.004539 (E_RNA)
where:
Base-Base interactions energy: -202.263
where: short stacking energy: -101.988
Base-Backbone interact. energy: -2.630
local terms energy: -146.110947
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -24.740
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: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -331.806591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.806591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.806591 (E_RNA)
where:
Base-Base interactions energy: -195.681
where: short stacking energy: -90.765
Base-Backbone interact. energy: -1.695
local terms energy: -134.430011
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -19.016
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: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -247.023658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.023658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.023658 (E_RNA)
where:
Base-Base interactions energy: -122.249
where: short stacking energy: -64.351
Base-Backbone interact. energy: -1.042
local terms energy: -123.732086
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -36.699
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -8.896
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: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -249.783603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.783603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.783603 (E_RNA)
where:
Base-Base interactions energy: -127.891
where: short stacking energy: -83.698
Base-Backbone interact. energy: -0.602
local terms energy: -121.290846
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -14.063
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: 10, replica: 2
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -165.070368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.070368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.070368 (E_RNA)
where:
Base-Base interactions energy: -64.729
where: short stacking energy: -45.918
Base-Backbone interact. energy: -0.954
local terms energy: -99.387281
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: 2.060
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: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -569.643722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.643722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.643722 (E_RNA)
where:
Base-Base interactions energy: -413.484
where: short stacking energy: -143.560
Base-Backbone interact. energy: 1.185
local terms energy: -157.344784
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -33.734
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: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -533.996185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.996185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.996185 (E_RNA)
where:
Base-Base interactions energy: -362.459
where: short stacking energy: -158.868
Base-Backbone interact. energy: -1.876
local terms energy: -169.661477
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -37.578
flat angles C4'-P-C4' energy: -39.159
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: -37.290
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -505.771589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.771589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.771589 (E_RNA)
where:
Base-Base interactions energy: -345.559
where: short stacking energy: -127.369
Base-Backbone interact. energy: 1.321
local terms energy: -161.533902
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -39.936
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -34.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -412.711967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.711967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.711967 (E_RNA)
where:
Base-Base interactions energy: -261.514
where: short stacking energy: -107.601
Base-Backbone interact. energy: 0.612
local terms energy: -151.810011
where:
bonds (distance) C4'-P energy: -35.203
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -22.910
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: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -362.440460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.440460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.440460 (E_RNA)
where:
Base-Base interactions energy: -206.550
where: short stacking energy: -102.634
Base-Backbone interact. energy: -1.141
local terms energy: -154.749363
where:
bonds (distance) C4'-P energy: -31.817
bonds (distance) P-C4' energy: -38.503
flat angles C4'-P-C4' energy: -37.855
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -20.239
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: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -381.363624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.363624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.363624 (E_RNA)
where:
Base-Base interactions energy: -246.155
where: short stacking energy: -111.917
Base-Backbone interact. energy: 0.843
local terms energy: -136.052077
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -31.387
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -320.505765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.505765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.505765 (E_RNA)
where:
Base-Base interactions energy: -180.772
where: short stacking energy: -89.594
Base-Backbone interact. energy: -0.456
local terms energy: -139.277910
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -16.838
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: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -245.703039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.703039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.703039 (E_RNA)
where:
Base-Base interactions energy: -138.805
where: short stacking energy: -76.778
Base-Backbone interact. energy: 3.111
local terms energy: -110.008572
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -31.953
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -5.870
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: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -218.131832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.131832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.131832 (E_RNA)
where:
Base-Base interactions energy: -102.528
where: short stacking energy: -45.169
Base-Backbone interact. energy: -1.137
local terms energy: -114.466277
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -164.366901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.366901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.366901 (E_RNA)
where:
Base-Base interactions energy: -65.935
where: short stacking energy: -40.071
Base-Backbone interact. energy: -2.526
local terms energy: -95.906098
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -32.092
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: 0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -575.303608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.303608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.303608 (E_RNA)
where:
Base-Base interactions energy: -409.341
where: short stacking energy: -134.336
Base-Backbone interact. energy: -2.689
local terms energy: -163.273449
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -40.059
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -36.309
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: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -548.733318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.733318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.733318 (E_RNA)
where:
Base-Base interactions energy: -368.020
where: short stacking energy: -143.884
Base-Backbone interact. energy: -1.836
local terms energy: -178.877339
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -42.615
flat angles C4'-P-C4' energy: -36.942
flat angles P-C4'-P energy: -25.794
tors. eta vs tors. theta energy: -39.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -529.784265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.784265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.784265 (E_RNA)
where:
Base-Base interactions energy: -380.983
where: short stacking energy: -155.837
Base-Backbone interact. energy: -0.771
local terms energy: -148.244145
where:
bonds (distance) C4'-P energy: -29.899
bonds (distance) P-C4' energy: -27.575
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -39.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.214 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -382.109420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.109420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.109420 (E_RNA)
where:
Base-Base interactions energy: -242.960
where: short stacking energy: -115.789
Base-Backbone interact. energy: -2.487
local terms energy: -136.661887
where:
bonds (distance) C4'-P energy: -29.181
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -24.346
tors. eta vs tors. theta energy: -28.703
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: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -363.055401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.055401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.055401 (E_RNA)
where:
Base-Base interactions energy: -224.130
where: short stacking energy: -118.880
Base-Backbone interact. energy: 1.670
local terms energy: -140.769219
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -34.502
flat angles C4'-P-C4' energy: -36.234
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -24.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.174 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -338.079773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.079773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.079773 (E_RNA)
where:
Base-Base interactions energy: -187.636
where: short stacking energy: -95.470
Base-Backbone interact. energy: -0.685
local terms energy: -149.758139
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -41.973
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -21.128
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: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -305.015584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.015584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.015584 (E_RNA)
where:
Base-Base interactions energy: -178.166
where: short stacking energy: -95.201
Base-Backbone interact. energy: -0.299
local terms energy: -126.550762
where:
bonds (distance) C4'-P energy: -28.141
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -16.408
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: 53
Temperature: 1.250000
Total energy: -252.100145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.100145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.100145 (E_RNA)
where:
Base-Base interactions energy: -139.171
where: short stacking energy: -67.821
Base-Backbone interact. energy: -0.900
local terms energy: -112.029210
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -243.798157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.798157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.798157 (E_RNA)
where:
Base-Base interactions energy: -148.605
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.483
local terms energy: -94.710134
where:
bonds (distance) C4'-P energy: -28.371
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: 3.940
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: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -211.732836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.732836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.732836 (E_RNA)
where:
Base-Base interactions energy: -98.331
where: short stacking energy: -50.272
Base-Backbone interact. energy: 0.175
local terms energy: -113.576513
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -40.291
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -6.245
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: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -567.458068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.458068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.458068 (E_RNA)
where:
Base-Base interactions energy: -400.640
where: short stacking energy: -153.305
Base-Backbone interact. energy: -0.432
local terms energy: -166.386130
where:
bonds (distance) C4'-P energy: -33.323
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -39.398
flat angles P-C4'-P energy: -27.712
tors. eta vs tors. theta energy: -36.091
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: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -511.939720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.939720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.939720 (E_RNA)
where:
Base-Base interactions energy: -335.221
where: short stacking energy: -137.665
Base-Backbone interact. energy: -2.677
local terms energy: -174.041379
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -33.266
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: -40.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -474.943741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.943741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.943741 (E_RNA)
where:
Base-Base interactions energy: -319.320
where: short stacking energy: -137.613
Base-Backbone interact. energy: -0.549
local terms energy: -155.754105
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -36.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.679 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -386.471372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.471372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.471372 (E_RNA)
where:
Base-Base interactions energy: -233.334
where: short stacking energy: -127.126
Base-Backbone interact. energy: 0.214
local terms energy: -153.351960
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -34.059
flat angles C4'-P-C4' energy: -37.675
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -32.750
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: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -364.418708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.418708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.418708 (E_RNA)
where:
Base-Base interactions energy: -236.229
where: short stacking energy: -94.383
Base-Backbone interact. energy: -0.694
local terms energy: -127.496047
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -33.061
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -322.821524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.821524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.821524 (E_RNA)
where:
Base-Base interactions energy: -201.830
where: short stacking energy: -91.838
Base-Backbone interact. energy: 3.904
local terms energy: -124.896337
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -27.294
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -13.196
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -308.011748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.011748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.011748 (E_RNA)
where:
Base-Base interactions energy: -185.596
where: short stacking energy: -80.341
Base-Backbone interact. energy: -0.460
local terms energy: -121.956001
where:
bonds (distance) C4'-P energy: -34.372
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -244.701482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.701482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.701482 (E_RNA)
where:
Base-Base interactions energy: -120.665
where: short stacking energy: -59.086
Base-Backbone interact. energy: -0.416
local terms energy: -126.251523
where:
bonds (distance) C4'-P energy: -35.344
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.631 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -232.317937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.317937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.317937 (E_RNA)
where:
Base-Base interactions energy: -119.725
where: short stacking energy: -68.094
Base-Backbone interact. energy: 1.914
local terms energy: -114.506801
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -4.866
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: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -208.009754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.009754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.009754 (E_RNA)
where:
Base-Base interactions energy: -99.347
where: short stacking energy: -61.606
Base-Backbone interact. energy: -0.115
local terms energy: -108.547657
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -33.021
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -1.858
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: 55
Temperature: 0.900000
Total energy: -558.706524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.706524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.706524 (E_RNA)
where:
Base-Base interactions energy: -380.534
where: short stacking energy: -134.663
Base-Backbone interact. energy: -3.314
local terms energy: -174.858409
where:
bonds (distance) C4'-P energy: -39.083
bonds (distance) P-C4' energy: -42.316
flat angles C4'-P-C4' energy: -39.348
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -32.879
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: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -520.392271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.392271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.392271 (E_RNA)
where:
Base-Base interactions energy: -352.971
where: short stacking energy: -137.300
Base-Backbone interact. energy: -1.870
local terms energy: -165.550960
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -37.871
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -39.710
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: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -483.257837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.257837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.257837 (E_RNA)
where:
Base-Base interactions energy: -326.615
where: short stacking energy: -127.390
Base-Backbone interact. energy: -0.342
local terms energy: -157.531306
where:
bonds (distance) C4'-P energy: -33.663
bonds (distance) P-C4' energy: -30.201
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.231 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -391.968319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.968319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.968319 (E_RNA)
where:
Base-Base interactions energy: -251.214
where: short stacking energy: -120.959
Base-Backbone interact. energy: -0.049
local terms energy: -140.704623
where:
bonds (distance) C4'-P energy: -30.461
bonds (distance) P-C4' energy: -31.519
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -25.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -384.455190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.455190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.455190 (E_RNA)
where:
Base-Base interactions energy: -234.755
where: short stacking energy: -110.070
Base-Backbone interact. energy: -0.446
local terms energy: -149.254874
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -33.108
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -30.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -361.685977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.685977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.685977 (E_RNA)
where:
Base-Base interactions energy: -206.725
where: short stacking energy: -90.170
Base-Backbone interact. energy: -0.118
local terms energy: -154.842614
where:
bonds (distance) C4'-P energy: -32.027
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -36.661
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -322.279753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.279753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.279753 (E_RNA)
where:
Base-Base interactions energy: -192.494
where: short stacking energy: -90.781
Base-Backbone interact. energy: -0.573
local terms energy: -129.212249
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -21.544
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: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -233.952284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.952284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.952284 (E_RNA)
where:
Base-Base interactions energy: -113.110
where: short stacking energy: -61.878
Base-Backbone interact. energy: 1.611
local terms energy: -122.452877
where:
bonds (distance) C4'-P energy: -31.655
bonds (distance) P-C4' energy: -39.619
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -220.883409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.883409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.883409 (E_RNA)
where:
Base-Base interactions energy: -114.607
where: short stacking energy: -53.155
Base-Backbone interact. energy: 0.948
local terms energy: -107.223858
where:
bonds (distance) C4'-P energy: -32.995
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -2.770
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: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -183.856057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.856057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.856057 (E_RNA)
where:
Base-Base interactions energy: -83.238
where: short stacking energy: -47.100
Base-Backbone interact. energy: -1.879
local terms energy: -98.739449
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: 3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -556.881120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.881120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.881120 (E_RNA)
where:
Base-Base interactions energy: -377.916
where: short stacking energy: -157.609
Base-Backbone interact. energy: -1.943
local terms energy: -177.022251
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -44.879
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: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -538.033487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.033487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.033487 (E_RNA)
where:
Base-Base interactions energy: -367.559
where: short stacking energy: -135.427
Base-Backbone interact. energy: -1.840
local terms energy: -168.634615
where:
bonds (distance) C4'-P energy: -35.009
bonds (distance) P-C4' energy: -41.005
flat angles C4'-P-C4' energy: -39.111
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -497.577711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.577711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.577711 (E_RNA)
where:
Base-Base interactions energy: -336.677
where: short stacking energy: -137.374
Base-Backbone interact. energy: -0.667
local terms energy: -160.233507
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -31.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -391.372005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.372005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.372005 (E_RNA)
where:
Base-Base interactions energy: -239.394
where: short stacking energy: -101.756
Base-Backbone interact. energy: 0.982
local terms energy: -152.960273
where:
bonds (distance) C4'-P energy: -28.944
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -38.072
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -363.202381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.202381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.202381 (E_RNA)
where:
Base-Base interactions energy: -230.570
where: short stacking energy: -94.247
Base-Backbone interact. energy: -1.206
local terms energy: -131.426513
where:
bonds (distance) C4'-P energy: -33.348
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -29.891
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -20.579
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: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -347.152888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.152888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.152888 (E_RNA)
where:
Base-Base interactions energy: -208.262
where: short stacking energy: -94.814
Base-Backbone interact. energy: -1.680
local terms energy: -137.211654
where:
bonds (distance) C4'-P energy: -29.450
bonds (distance) P-C4' energy: -31.298
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -29.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -359.818998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.818998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.818998 (E_RNA)
where:
Base-Base interactions energy: -219.766
where: short stacking energy: -101.353
Base-Backbone interact. energy: -0.435
local terms energy: -139.617877
where:
bonds (distance) C4'-P energy: -35.388
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -31.019
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -25.645
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: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -251.503355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.503355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.503355 (E_RNA)
where:
Base-Base interactions energy: -128.617
where: short stacking energy: -77.489
Base-Backbone interact. energy: -1.842
local terms energy: -121.043834
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -38.812
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -21.478
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: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -221.031639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.031639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.031639 (E_RNA)
where:
Base-Base interactions energy: -109.882
where: short stacking energy: -60.044
Base-Backbone interact. energy: 1.021
local terms energy: -112.170581
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -37.061
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: 2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -171.172858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.172858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.172858 (E_RNA)
where:
Base-Base interactions energy: -75.937
where: short stacking energy: -53.345
Base-Backbone interact. energy: -1.673
local terms energy: -93.563136
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -28.041
flat angles C4'-P-C4' energy: -26.165
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -6.050
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: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -542.204361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.204361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.204361 (E_RNA)
where:
Base-Base interactions energy: -364.340
where: short stacking energy: -151.477
Base-Backbone interact. energy: -1.255
local terms energy: -176.609962
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -39.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -547.439852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.439852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.439852 (E_RNA)
where:
Base-Base interactions energy: -382.750
where: short stacking energy: -144.417
Base-Backbone interact. energy: -3.869
local terms energy: -160.821051
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -39.024
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -34.702
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: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -509.857588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.857588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.857588 (E_RNA)
where:
Base-Base interactions energy: -335.750
where: short stacking energy: -142.001
Base-Backbone interact. energy: -0.708
local terms energy: -173.400063
where:
bonds (distance) C4'-P energy: -33.629
bonds (distance) P-C4' energy: -39.751
flat angles C4'-P-C4' energy: -34.815
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -39.096
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: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -413.069242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.069242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.069242 (E_RNA)
where:
Base-Base interactions energy: -247.491
where: short stacking energy: -120.237
Base-Backbone interact. energy: -0.604
local terms energy: -164.974138
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -37.491
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -32.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -379.680511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.680511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.680511 (E_RNA)
where:
Base-Base interactions energy: -236.982
where: short stacking energy: -107.094
Base-Backbone interact. energy: -0.017
local terms energy: -142.681488
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -36.487
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -370.238662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.238662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.238662 (E_RNA)
where:
Base-Base interactions energy: -226.157
where: short stacking energy: -106.642
Base-Backbone interact. energy: -0.702
local terms energy: -143.379352
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -40.228
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -384.655928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.655928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.655928 (E_RNA)
where:
Base-Base interactions energy: -256.549
where: short stacking energy: -107.902
Base-Backbone interact. energy: 1.085
local terms energy: -129.191545
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -34.828
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -27.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -260.048389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.048389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.048389 (E_RNA)
where:
Base-Base interactions energy: -148.285
where: short stacking energy: -76.249
Base-Backbone interact. energy: -0.546
local terms energy: -111.217450
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -13.201
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: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -220.001082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.001082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.001082 (E_RNA)
where:
Base-Base interactions energy: -122.468
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.995
local terms energy: -96.538267
where:
bonds (distance) C4'-P energy: -26.615
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -0.989
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: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -166.993506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.993506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.993506 (E_RNA)
where:
Base-Base interactions energy: -74.000
where: short stacking energy: -48.427
Base-Backbone interact. energy: -0.365
local terms energy: -92.629069
where:
bonds (distance) C4'-P energy: -31.196
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: 8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -542.559838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.559838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.559838 (E_RNA)
where:
Base-Base interactions energy: -371.314
where: short stacking energy: -151.402
Base-Backbone interact. energy: -1.197
local terms energy: -170.048511
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -43.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -528.936477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.936477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.936477 (E_RNA)
where:
Base-Base interactions energy: -363.588
where: short stacking energy: -147.149
Base-Backbone interact. energy: -1.998
local terms energy: -163.349736
where:
bonds (distance) C4'-P energy: -30.542
bonds (distance) P-C4' energy: -34.039
flat angles C4'-P-C4' energy: -39.377
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -35.707
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: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -508.917324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.917324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.917324 (E_RNA)
where:
Base-Base interactions energy: -340.978
where: short stacking energy: -147.438
Base-Backbone interact. energy: -0.921
local terms energy: -167.026519
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -38.472
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -37.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.009 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -405.473660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.473660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.473660 (E_RNA)
where:
Base-Base interactions energy: -245.924
where: short stacking energy: -119.608
Base-Backbone interact. energy: -1.016
local terms energy: -158.533116
where:
bonds (distance) C4'-P energy: -38.234
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -30.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -379.570850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.570850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.570850 (E_RNA)
where:
Base-Base interactions energy: -227.538
where: short stacking energy: -114.051
Base-Backbone interact. energy: -2.936
local terms energy: -149.096286
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -31.292
flat angles C4'-P-C4' energy: -42.125
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -25.316
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: 58
Temperature: 1.150000
Total energy: -332.200574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.200574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.200574 (E_RNA)
where:
Base-Base interactions energy: -204.725
where: short stacking energy: -114.941
Base-Backbone interact. energy: -0.551
local terms energy: -126.925144
where:
bonds (distance) C4'-P energy: -34.938
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -351.279216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.279216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.279216 (E_RNA)
where:
Base-Base interactions energy: -208.636
where: short stacking energy: -90.956
Base-Backbone interact. energy: -1.314
local terms energy: -141.329735
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -28.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -242.557441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.557441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.557441 (E_RNA)
where:
Base-Base interactions energy: -123.034
where: short stacking energy: -63.708
Base-Backbone interact. energy: -0.716
local terms energy: -120.430384
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -40.359
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -16.266
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: 1.623 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -192.269029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.269029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.269029 (E_RNA)
where:
Base-Base interactions energy: -87.674
where: short stacking energy: -38.609
Base-Backbone interact. energy: -2.534
local terms energy: -102.060920
where:
bonds (distance) C4'-P energy: -27.226
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: 3.659
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: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -178.178054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.178054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.178054 (E_RNA)
where:
Base-Base interactions energy: -50.047
where: short stacking energy: -48.190
Base-Backbone interact. energy: -1.461
local terms energy: -126.669603
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -34.050
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -529.749659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.749659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.749659 (E_RNA)
where:
Base-Base interactions energy: -350.497
where: short stacking energy: -145.760
Base-Backbone interact. energy: -1.649
local terms energy: -177.603060
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -37.497
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -39.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -541.445347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.445347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.445347 (E_RNA)
where:
Base-Base interactions energy: -378.748
where: short stacking energy: -157.269
Base-Backbone interact. energy: 0.708
local terms energy: -163.405992
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -38.311
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -37.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -496.925726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.925726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.925726 (E_RNA)
where:
Base-Base interactions energy: -333.896
where: short stacking energy: -131.349
Base-Backbone interact. energy: -0.691
local terms energy: -162.338343
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -24.344
tors. eta vs tors. theta energy: -37.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -425.289567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.289567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.289567 (E_RNA)
where:
Base-Base interactions energy: -261.260
where: short stacking energy: -132.475
Base-Backbone interact. energy: -0.663
local terms energy: -163.366646
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -34.926
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: 59
Temperature: 1.100000
Total energy: -392.652972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.652972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.652972 (E_RNA)
where:
Base-Base interactions energy: -241.886
where: short stacking energy: -115.778
Base-Backbone interact. energy: -2.471
local terms energy: -148.296053
where:
bonds (distance) C4'-P energy: -34.029
bonds (distance) P-C4' energy: -42.415
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -32.540
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: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -361.895027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.895027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.895027 (E_RNA)
where:
Base-Base interactions energy: -221.689
where: short stacking energy: -101.937
Base-Backbone interact. energy: -0.175
local terms energy: -140.031063
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -27.684
tors. eta vs tors. theta energy: -24.723
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: 59
Temperature: 1.200000
Total energy: -290.137015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.137015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.137015 (E_RNA)
where:
Base-Base interactions energy: -181.639
where: short stacking energy: -88.014
Base-Backbone interact. energy: -0.636
local terms energy: -107.862205
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -24.382
tors. eta vs tors. theta energy: -1.403
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: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -255.027741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.027741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.027741 (E_RNA)
where:
Base-Base interactions energy: -130.556
where: short stacking energy: -64.618
Base-Backbone interact. energy: -1.103
local terms energy: -123.832413
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -27.311
flat angles C4'-P-C4' energy: -38.652
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.464 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -176.436270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.436270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.436270 (E_RNA)
where:
Base-Base interactions energy: -83.549
where: short stacking energy: -68.256
Base-Backbone interact. energy: -0.702
local terms energy: -92.185403
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -21.457
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: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -163.278775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.278775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.278775 (E_RNA)
where:
Base-Base interactions energy: -68.946
where: short stacking energy: -39.886
Base-Backbone interact. energy: 2.373
local terms energy: -96.705597
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -551.442210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.442210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.442210 (E_RNA)
where:
Base-Base interactions energy: -373.770
where: short stacking energy: -151.700
Base-Backbone interact. energy: -1.137
local terms energy: -176.535408
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -39.740
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: -35.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -514.014957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.014957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.014957 (E_RNA)
where:
Base-Base interactions energy: -353.107
where: short stacking energy: -145.002
Base-Backbone interact. energy: -0.785
local terms energy: -160.123118
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -30.727
flat angles C4'-P-C4' energy: -39.360
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -35.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -496.611717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.611717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.611717 (E_RNA)
where:
Base-Base interactions energy: -346.944
where: short stacking energy: -139.443
Base-Backbone interact. energy: -1.934
local terms energy: -147.733485
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -37.202
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -18.510
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: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -437.690210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.690210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.690210 (E_RNA)
where:
Base-Base interactions energy: -288.094
where: short stacking energy: -127.777
Base-Backbone interact. energy: 0.403
local terms energy: -149.999289
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -36.272
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -32.158
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: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -359.209020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.209020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.209020 (E_RNA)
where:
Base-Base interactions energy: -203.766
where: short stacking energy: -98.269
Base-Backbone interact. energy: -2.010
local terms energy: -153.433474
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -36.830
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -27.342
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -364.542468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.542468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.542468 (E_RNA)
where:
Base-Base interactions energy: -224.120
where: short stacking energy: -111.113
Base-Backbone interact. energy: 0.449
local terms energy: -140.871813
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -29.660
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: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -323.632697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.632697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.632697 (E_RNA)
where:
Base-Base interactions energy: -208.486
where: short stacking energy: -83.671
Base-Backbone interact. energy: 0.784
local terms energy: -115.930675
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -15.337
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: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -242.170425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.170425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.170425 (E_RNA)
where:
Base-Base interactions energy: -127.369
where: short stacking energy: -79.153
Base-Backbone interact. energy: -0.497
local terms energy: -115.209077
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.905 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -185.346059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.346059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.346059 (E_RNA)
where:
Base-Base interactions energy: -76.002
where: short stacking energy: -46.951
Base-Backbone interact. energy: -0.744
local terms energy: -108.600011
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -38.530
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: 5.936
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: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -170.461509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.461509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.461509 (E_RNA)
where:
Base-Base interactions energy: -56.646
where: short stacking energy: -46.516
Base-Backbone interact. energy: -0.213
local terms energy: -113.602631
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -547.846938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.846938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.846938 (E_RNA)
where:
Base-Base interactions energy: -372.940
where: short stacking energy: -140.595
Base-Backbone interact. energy: -1.811
local terms energy: -173.095775
where:
bonds (distance) C4'-P energy: -37.591
bonds (distance) P-C4' energy: -35.738
flat angles C4'-P-C4' energy: -41.704
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -499.000390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.000390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.000390 (E_RNA)
where:
Base-Base interactions energy: -337.884
where: short stacking energy: -141.554
Base-Backbone interact. energy: -1.147
local terms energy: -159.968704
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -40.738
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: 3, replica: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -491.330660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.330660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.330660 (E_RNA)
where:
Base-Base interactions energy: -322.503
where: short stacking energy: -131.482
Base-Backbone interact. energy: -1.041
local terms energy: -167.797367
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -40.391
flat angles C4'-P-C4' energy: -38.008
flat angles P-C4'-P energy: -25.608
tors. eta vs tors. theta energy: -35.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.011 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -426.446970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.446970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.446970 (E_RNA)
where:
Base-Base interactions energy: -275.266
where: short stacking energy: -128.723
Base-Backbone interact. energy: -1.975
local terms energy: -149.205984
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -25.520
tors. eta vs tors. theta energy: -27.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -349.570760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.570760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.570760 (E_RNA)
where:
Base-Base interactions energy: -197.160
where: short stacking energy: -109.534
Base-Backbone interact. energy: -0.455
local terms energy: -152.765122
where:
bonds (distance) C4'-P energy: -34.101
bonds (distance) P-C4' energy: -35.895
flat angles C4'-P-C4' energy: -35.851
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.810 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -323.811352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.811352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.811352 (E_RNA)
where:
Base-Base interactions energy: -184.087
where: short stacking energy: -89.612
Base-Backbone interact. energy: -2.139
local terms energy: -137.585712
where:
bonds (distance) C4'-P energy: -35.402
bonds (distance) P-C4' energy: -39.182
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -321.060130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.060130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.060130 (E_RNA)
where:
Base-Base interactions energy: -189.691
where: short stacking energy: -91.020
Base-Backbone interact. energy: -0.782
local terms energy: -130.587149
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -17.486
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: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -229.959734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.959734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.959734 (E_RNA)
where:
Base-Base interactions energy: -130.414
where: short stacking energy: -74.001
Base-Backbone interact. energy: 3.401
local terms energy: -102.953518
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -39.492
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.007 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -232.761892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.761892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.761892 (E_RNA)
where:
Base-Base interactions energy: -129.546
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.279
local terms energy: -102.937345
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -35.312
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -6.186
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: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -174.310932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.310932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.310932 (E_RNA)
where:
Base-Base interactions energy: -75.723
where: short stacking energy: -44.985
Base-Backbone interact. energy: -0.622
local terms energy: -97.965617
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: 8.270
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: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -528.601621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.601621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.601621 (E_RNA)
where:
Base-Base interactions energy: -355.931
where: short stacking energy: -130.663
Base-Backbone interact. energy: -1.408
local terms energy: -171.262777
where:
bonds (distance) C4'-P energy: -37.827
bonds (distance) P-C4' energy: -38.157
flat angles C4'-P-C4' energy: -38.282
flat angles P-C4'-P energy: -23.988
tors. eta vs tors. theta energy: -33.008
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: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -488.920820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.920820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.920820 (E_RNA)
where:
Base-Base interactions energy: -321.789
where: short stacking energy: -132.392
Base-Backbone interact. energy: -0.492
local terms energy: -166.640218
where:
bonds (distance) C4'-P energy: -33.264
bonds (distance) P-C4' energy: -35.102
flat angles C4'-P-C4' energy: -41.071
flat angles P-C4'-P energy: -20.435
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: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -511.056600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.056600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.056600 (E_RNA)
where:
Base-Base interactions energy: -348.010
where: short stacking energy: -151.718
Base-Backbone interact. energy: -1.394
local terms energy: -161.652564
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -33.856
flat angles P-C4'-P energy: -26.809
tors. eta vs tors. theta energy: -34.730
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: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -406.820906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.820906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.820906 (E_RNA)
where:
Base-Base interactions energy: -259.687
where: short stacking energy: -116.120
Base-Backbone interact. energy: -2.015
local terms energy: -145.118781
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -35.868
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: -30.573
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: 62
Temperature: 1.100000
Total energy: -386.590723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.590723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.590723 (E_RNA)
where:
Base-Base interactions energy: -236.269
where: short stacking energy: -109.453
Base-Backbone interact. energy: -2.194
local terms energy: -148.127325
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -16.894
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: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -367.285826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.285826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.285826 (E_RNA)
where:
Base-Base interactions energy: -230.394
where: short stacking energy: -106.705
Base-Backbone interact. energy: -1.072
local terms energy: -135.820005
where:
bonds (distance) C4'-P energy: -29.653
bonds (distance) P-C4' energy: -32.258
flat angles C4'-P-C4' energy: -35.089
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -24.961
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: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -300.740075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.740075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.740075 (E_RNA)
where:
Base-Base interactions energy: -176.696
where: short stacking energy: -82.001
Base-Backbone interact. energy: -0.809
local terms energy: -123.235913
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -209.563610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.563610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.563610 (E_RNA)
where:
Base-Base interactions energy: -108.418
where: short stacking energy: -56.004
Base-Backbone interact. energy: -2.276
local terms energy: -100.230462
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -27.220
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: 3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.361 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -229.469326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.469326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.469326 (E_RNA)
where:
Base-Base interactions energy: -126.948
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.431
local terms energy: -102.089924
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -28.111
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -4.500
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: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -172.875305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.875305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.875305 (E_RNA)
where:
Base-Base interactions energy: -73.114
where: short stacking energy: -53.753
Base-Backbone interact. energy: -1.296
local terms energy: -98.465266
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -549.905213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.905213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.905213 (E_RNA)
where:
Base-Base interactions energy: -370.185
where: short stacking energy: -144.021
Base-Backbone interact. energy: 1.480
local terms energy: -181.200593
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -40.760
flat angles C4'-P-C4' energy: -37.356
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -41.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -517.531356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.531356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.531356 (E_RNA)
where:
Base-Base interactions energy: -345.837
where: short stacking energy: -151.918
Base-Backbone interact. energy: -0.556
local terms energy: -171.137568
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -38.807
flat angles C4'-P-C4' energy: -42.229
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -36.408
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: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -494.473120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.473120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.473120 (E_RNA)
where:
Base-Base interactions energy: -336.794
where: short stacking energy: -146.065
Base-Backbone interact. energy: -1.285
local terms energy: -156.393924
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -36.627
flat angles P-C4'-P energy: -23.125
tors. eta vs tors. theta energy: -42.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -369.479721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.479721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.479721 (E_RNA)
where:
Base-Base interactions energy: -219.768
where: short stacking energy: -114.585
Base-Backbone interact. energy: -0.632
local terms energy: -149.079708
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -366.059548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.059548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.059548 (E_RNA)
where:
Base-Base interactions energy: -218.653
where: short stacking energy: -101.755
Base-Backbone interact. energy: 0.822
local terms energy: -148.229172
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -32.375
flat angles P-C4'-P energy: -25.134
tors. eta vs tors. theta energy: -25.373
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: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -339.521591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.521591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.521591 (E_RNA)
where:
Base-Base interactions energy: -220.613
where: short stacking energy: -89.235
Base-Backbone interact. energy: 0.810
local terms energy: -119.717833
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -31.501
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -7.821
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: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -353.924877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.924877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.924877 (E_RNA)
where:
Base-Base interactions energy: -224.364
where: short stacking energy: -111.993
Base-Backbone interact. energy: 0.469
local terms energy: -130.030522
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -27.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -240.281253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.281253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.281253 (E_RNA)
where:
Base-Base interactions energy: -114.253
where: short stacking energy: -82.735
Base-Backbone interact. energy: -0.805
local terms energy: -125.223055
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -37.405
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -9.319
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: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -185.941558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.941558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.941558 (E_RNA)
where:
Base-Base interactions energy: -85.110
where: short stacking energy: -54.157
Base-Backbone interact. energy: 1.224
local terms energy: -102.055564
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -156.727642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.727642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.727642 (E_RNA)
where:
Base-Base interactions energy: -46.465
where: short stacking energy: -45.824
Base-Backbone interact. energy: -1.145
local terms energy: -109.117584
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -564.175100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.175100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.175100 (E_RNA)
where:
Base-Base interactions energy: -384.968
where: short stacking energy: -149.365
Base-Backbone interact. energy: -2.149
local terms energy: -177.057994
where:
bonds (distance) C4'-P energy: -37.829
bonds (distance) P-C4' energy: -37.291
flat angles C4'-P-C4' energy: -39.817
flat angles P-C4'-P energy: -25.873
tors. eta vs tors. theta energy: -36.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -517.801473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.801473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.801473 (E_RNA)
where:
Base-Base interactions energy: -358.082
where: short stacking energy: -139.174
Base-Backbone interact. energy: 0.666
local terms energy: -160.386208
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -38.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -497.110607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.110607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.110607 (E_RNA)
where:
Base-Base interactions energy: -332.009
where: short stacking energy: -129.308
Base-Backbone interact. energy: -1.065
local terms energy: -164.036332
where:
bonds (distance) C4'-P energy: -38.250
bonds (distance) P-C4' energy: -33.682
flat angles C4'-P-C4' energy: -34.897
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -32.933
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: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -424.203552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.203552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.203552 (E_RNA)
where:
Base-Base interactions energy: -273.937
where: short stacking energy: -117.975
Base-Backbone interact. energy: -0.953
local terms energy: -149.313134
where:
bonds (distance) C4'-P energy: -28.518
bonds (distance) P-C4' energy: -32.197
flat angles C4'-P-C4' energy: -37.572
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -28.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -363.517980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.517980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.517980 (E_RNA)
where:
Base-Base interactions energy: -225.526
where: short stacking energy: -101.641
Base-Backbone interact. energy: -1.109
local terms energy: -136.883379
where:
bonds (distance) C4'-P energy: -34.343
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -360.723259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.723259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.723259 (E_RNA)
where:
Base-Base interactions energy: -227.224
where: short stacking energy: -112.471
Base-Backbone interact. energy: -2.301
local terms energy: -131.198150
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -32.654
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -27.518
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: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -261.598535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.598535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.598535 (E_RNA)
where:
Base-Base interactions energy: -134.701
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.126
local terms energy: -126.771577
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -40.683
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -338.913226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.913226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.913226 (E_RNA)
where:
Base-Base interactions energy: -203.840
where: short stacking energy: -119.255
Base-Backbone interact. energy: -1.872
local terms energy: -134.065402
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -37.102
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -31.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.864 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -164.732474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.732474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.732474 (E_RNA)
where:
Base-Base interactions energy: -65.689
where: short stacking energy: -50.079
Base-Backbone interact. energy: -0.399
local terms energy: -98.644864
where:
bonds (distance) C4'-P energy: -30.382
bonds (distance) P-C4' energy: -32.693
flat angles C4'-P-C4' energy: -33.027
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: 10.997
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: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -157.101756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.101756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.101756 (E_RNA)
where:
Base-Base interactions energy: -48.500
where: short stacking energy: -26.396
Base-Backbone interact. energy: -1.934
local terms energy: -106.668126
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: 2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -568.171556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.171556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.171556 (E_RNA)
where:
Base-Base interactions energy: -389.922
where: short stacking energy: -146.024
Base-Backbone interact. energy: -1.219
local terms energy: -177.030358
where:
bonds (distance) C4'-P energy: -33.617
bonds (distance) P-C4' energy: -39.656
flat angles C4'-P-C4' energy: -40.052
flat angles P-C4'-P energy: -23.813
tors. eta vs tors. theta energy: -39.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -515.548555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.548555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.548555 (E_RNA)
where:
Base-Base interactions energy: -346.276
where: short stacking energy: -128.247
Base-Backbone interact. energy: -0.520
local terms energy: -168.752216
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -33.624
flat angles P-C4'-P energy: -31.582
tors. eta vs tors. theta energy: -38.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -509.374211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.374211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.374211 (E_RNA)
where:
Base-Base interactions energy: -345.827
where: short stacking energy: -132.531
Base-Backbone interact. energy: -0.915
local terms energy: -162.631844
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -39.065
flat angles P-C4'-P energy: -27.856
tors. eta vs tors. theta energy: -25.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -396.506469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.506469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.506469 (E_RNA)
where:
Base-Base interactions energy: -253.979
where: short stacking energy: -108.888
Base-Backbone interact. energy: -3.588
local terms energy: -139.450320
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -38.567
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.511 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -366.136981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.136981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.136981 (E_RNA)
where:
Base-Base interactions energy: -214.169
where: short stacking energy: -98.416
Base-Backbone interact. energy: -0.960
local terms energy: -151.008269
where:
bonds (distance) C4'-P energy: -37.102
bonds (distance) P-C4' energy: -39.089
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -28.148
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -356.464717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.464717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.464717 (E_RNA)
where:
Base-Base interactions energy: -210.391
where: short stacking energy: -104.663
Base-Backbone interact. energy: -0.042
local terms energy: -146.031715
where:
bonds (distance) C4'-P energy: -28.891
bonds (distance) P-C4' energy: -33.638
flat angles C4'-P-C4' energy: -39.903
flat angles P-C4'-P energy: -28.758
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -315.682582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.682582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.682582 (E_RNA)
where:
Base-Base interactions energy: -181.899
where: short stacking energy: -84.470
Base-Backbone interact. energy: 4.563
local terms energy: -138.346522
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -24.807
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: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -314.203363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.203363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.203363 (E_RNA)
where:
Base-Base interactions energy: -186.890
where: short stacking energy: -89.878
Base-Backbone interact. energy: 0.063
local terms energy: -128.962130
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -28.148
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.586 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -167.468667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.468667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.468667 (E_RNA)
where:
Base-Base interactions energy: -59.347
where: short stacking energy: -49.132
Base-Backbone interact. energy: -0.945
local terms energy: -107.933225
where:
bonds (distance) C4'-P energy: -37.058
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.757 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -164.999784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.999784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.999784 (E_RNA)
where:
Base-Base interactions energy: -54.516
where: short stacking energy: -53.252
Base-Backbone interact. energy: -1.092
local terms energy: -109.391383
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -33.241
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -545.297819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.297819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.297819 (E_RNA)
where:
Base-Base interactions energy: -366.842
where: short stacking energy: -135.817
Base-Backbone interact. energy: -0.944
local terms energy: -177.511832
where:
bonds (distance) C4'-P energy: -36.975
bonds (distance) P-C4' energy: -40.546
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -40.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -531.256585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.256585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.256585 (E_RNA)
where:
Base-Base interactions energy: -375.258
where: short stacking energy: -145.714
Base-Backbone interact. energy: -1.148
local terms energy: -155.499264
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -39.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.648 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -497.495385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.495385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.495385 (E_RNA)
where:
Base-Base interactions energy: -331.657
where: short stacking energy: -144.787
Base-Backbone interact. energy: 1.036
local terms energy: -166.873772
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -36.562
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -37.335
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: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -385.973538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.973538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.973538 (E_RNA)
where:
Base-Base interactions energy: -250.490
where: short stacking energy: -100.376
Base-Backbone interact. energy: -1.340
local terms energy: -134.143732
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -29.247
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -385.379543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.379543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.379543 (E_RNA)
where:
Base-Base interactions energy: -229.195
where: short stacking energy: -119.818
Base-Backbone interact. energy: -2.063
local terms energy: -154.122003
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -41.249
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -30.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -383.094233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.094233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.094233 (E_RNA)
where:
Base-Base interactions energy: -251.826
where: short stacking energy: -108.842
Base-Backbone interact. energy: -1.316
local terms energy: -129.952671
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -238.448017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.448017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.448017 (E_RNA)
where:
Base-Base interactions energy: -123.706
where: short stacking energy: -73.555
Base-Backbone interact. energy: -0.484
local terms energy: -114.258380
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -5.900
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: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -332.676637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.676637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.676637 (E_RNA)
where:
Base-Base interactions energy: -206.840
where: short stacking energy: -95.283
Base-Backbone interact. energy: 0.098
local terms energy: -125.934888
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -30.268
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -179.117167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.117167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.117167 (E_RNA)
where:
Base-Base interactions energy: -69.790
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.575
local terms energy: -108.752715
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -29.799
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -7.094
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: 66
Temperature: 1.350000
Total energy: -150.867494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.867494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.867494 (E_RNA)
where:
Base-Base interactions energy: -41.787
where: short stacking energy: -34.638
Base-Backbone interact. energy: 2.745
local terms energy: -114.009211
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: 2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.184 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -558.196186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.196186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.196186 (E_RNA)
where:
Base-Base interactions energy: -378.584
where: short stacking energy: -145.851
Base-Backbone interact. energy: -3.166
local terms energy: -176.446323
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -39.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -544.273581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.273581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.273581 (E_RNA)
where:
Base-Base interactions energy: -365.147
where: short stacking energy: -151.329
Base-Backbone interact. energy: -1.499
local terms energy: -177.627634
where:
bonds (distance) C4'-P energy: -40.718
bonds (distance) P-C4' energy: -34.388
flat angles C4'-P-C4' energy: -36.005
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -42.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -507.119804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.119804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.119804 (E_RNA)
where:
Base-Base interactions energy: -353.876
where: short stacking energy: -136.756
Base-Backbone interact. energy: -0.431
local terms energy: -152.813713
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -34.440
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: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -404.284400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.284400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.284400 (E_RNA)
where:
Base-Base interactions energy: -246.842
where: short stacking energy: -124.665
Base-Backbone interact. energy: 1.221
local terms energy: -158.663395
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -40.067
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -38.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -423.485892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.485892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.485892 (E_RNA)
where:
Base-Base interactions energy: -271.236
where: short stacking energy: -112.563
Base-Backbone interact. energy: -0.209
local terms energy: -152.040077
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -25.918
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: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -347.307637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.307637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.307637 (E_RNA)
where:
Base-Base interactions energy: -196.482
where: short stacking energy: -93.298
Base-Backbone interact. energy: -0.599
local terms energy: -150.226089
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -33.101
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -296.933653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.933653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.933653 (E_RNA)
where:
Base-Base interactions energy: -142.243
where: short stacking energy: -97.581
Base-Backbone interact. energy: -0.318
local terms energy: -154.372472
where:
bonds (distance) C4'-P energy: -36.377
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -31.816
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: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -338.202261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.202261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.202261 (E_RNA)
where:
Base-Base interactions energy: -196.468
where: short stacking energy: -91.358
Base-Backbone interact. energy: 0.570
local terms energy: -142.304335
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -160.964209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.964209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.964209 (E_RNA)
where:
Base-Base interactions energy: -67.441
where: short stacking energy: -46.882
Base-Backbone interact. energy: 1.884
local terms energy: -95.406895
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -157.093266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.093266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.093266 (E_RNA)
where:
Base-Base interactions energy: -67.627
where: short stacking energy: -46.525
Base-Backbone interact. energy: -2.638
local terms energy: -86.828016
where:
bonds (distance) C4'-P energy: -24.288
bonds (distance) P-C4' energy: -31.214
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -17.237
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: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -556.826896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.826896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.826896 (E_RNA)
where:
Base-Base interactions energy: -385.366
where: short stacking energy: -154.459
Base-Backbone interact. energy: -1.191
local terms energy: -170.270003
where:
bonds (distance) C4'-P energy: -36.921
bonds (distance) P-C4' energy: -37.621
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -38.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -522.460029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.460029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.460029 (E_RNA)
where:
Base-Base interactions energy: -357.563
where: short stacking energy: -142.120
Base-Backbone interact. energy: -0.082
local terms energy: -166.163287
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -39.861
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: -37.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.347 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -501.947150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.947150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.947150 (E_RNA)
where:
Base-Base interactions energy: -332.411
where: short stacking energy: -137.659
Base-Backbone interact. energy: -0.230
local terms energy: -169.530915
where:
bonds (distance) C4'-P energy: -38.074
bonds (distance) P-C4' energy: -37.059
flat angles C4'-P-C4' energy: -37.728
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -36.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.224 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -398.550610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.550610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.550610 (E_RNA)
where:
Base-Base interactions energy: -249.223
where: short stacking energy: -124.499
Base-Backbone interact. energy: -1.551
local terms energy: -147.777347
where:
bonds (distance) C4'-P energy: -37.439
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -28.251
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -30.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -388.456759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.456759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.456759 (E_RNA)
where:
Base-Base interactions energy: -228.771
where: short stacking energy: -94.173
Base-Backbone interact. energy: -3.179
local terms energy: -156.506947
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -36.098
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -336.340706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.340706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.340706 (E_RNA)
where:
Base-Base interactions energy: -202.371
where: short stacking energy: -81.188
Base-Backbone interact. energy: -2.082
local terms energy: -131.887981
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -33.062
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -18.498
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: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -330.393672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.393672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.393672 (E_RNA)
where:
Base-Base interactions energy: -196.147
where: short stacking energy: -85.099
Base-Backbone interact. energy: -0.747
local terms energy: -133.499780
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -13.963
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: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -229.322543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.322543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.322543 (E_RNA)
where:
Base-Base interactions energy: -119.484
where: short stacking energy: -74.511
Base-Backbone interact. energy: 1.047
local terms energy: -110.908726
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -175.810405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.810405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.810405 (E_RNA)
where:
Base-Base interactions energy: -67.471
where: short stacking energy: -56.080
Base-Backbone interact. energy: -0.382
local terms energy: -109.245076
where:
bonds (distance) C4'-P energy: -35.214
bonds (distance) P-C4' energy: -28.736
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: 9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.288 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -172.378542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.378542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.378542 (E_RNA)
where:
Base-Base interactions energy: -71.895
where: short stacking energy: -49.033
Base-Backbone interact. energy: -0.420
local terms energy: -100.063346
where:
bonds (distance) C4'-P energy: -30.433
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: 2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -572.160576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.160576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.160576 (E_RNA)
where:
Base-Base interactions energy: -390.854
where: short stacking energy: -148.132
Base-Backbone interact. energy: -2.429
local terms energy: -178.877507
where:
bonds (distance) C4'-P energy: -30.092
bonds (distance) P-C4' energy: -36.583
flat angles C4'-P-C4' energy: -39.424
flat angles P-C4'-P energy: -33.611
tors. eta vs tors. theta energy: -39.167
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -490.361445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.361445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.361445 (E_RNA)
where:
Base-Base interactions energy: -329.109
where: short stacking energy: -123.198
Base-Backbone interact. energy: 1.177
local terms energy: -162.430083
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -43.435
flat angles C4'-P-C4' energy: -40.873
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -31.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -513.045875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.045875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.045875 (E_RNA)
where:
Base-Base interactions energy: -349.301
where: short stacking energy: -144.836
Base-Backbone interact. energy: -0.245
local terms energy: -163.500433
where:
bonds (distance) C4'-P energy: -34.894
bonds (distance) P-C4' energy: -35.773
flat angles C4'-P-C4' energy: -33.617
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -35.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -394.822017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.822017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.822017 (E_RNA)
where:
Base-Base interactions energy: -246.126
where: short stacking energy: -119.852
Base-Backbone interact. energy: -0.924
local terms energy: -147.771702
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -32.141
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -364.918587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.918587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.918587 (E_RNA)
where:
Base-Base interactions energy: -221.959
where: short stacking energy: -106.244
Base-Backbone interact. energy: 1.524
local terms energy: -144.483382
where:
bonds (distance) C4'-P energy: -32.524
bonds (distance) P-C4' energy: -31.426
flat angles C4'-P-C4' energy: -31.414
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: -22.907
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: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -375.867217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.867217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.867217 (E_RNA)
where:
Base-Base interactions energy: -231.710
where: short stacking energy: -105.841
Base-Backbone interact. energy: -0.859
local terms energy: -143.298381
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -24.093
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: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -314.407137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.407137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.407137 (E_RNA)
where:
Base-Base interactions energy: -187.641
where: short stacking energy: -94.494
Base-Backbone interact. energy: -1.930
local terms energy: -127.999839
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -35.364
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.164 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -229.695788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.695788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.695788 (E_RNA)
where:
Base-Base interactions energy: -118.359
where: short stacking energy: -63.881
Base-Backbone interact. energy: -0.472
local terms energy: -110.864373
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -167.306348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.306348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.306348 (E_RNA)
where:
Base-Base interactions energy: -57.140
where: short stacking energy: -57.046
Base-Backbone interact. energy: -1.272
local terms energy: -109.370006
where:
bonds (distance) C4'-P energy: -32.847
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -33.477
flat angles P-C4'-P energy: -15.575
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: 0.476 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -157.138144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.138144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.138144 (E_RNA)
where:
Base-Base interactions energy: -46.301
where: short stacking energy: -40.647
Base-Backbone interact. energy: -0.183
local terms energy: -110.654758
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: 5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -570.144009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.144009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.144009 (E_RNA)
where:
Base-Base interactions energy: -389.229
where: short stacking energy: -154.959
Base-Backbone interact. energy: -2.510
local terms energy: -178.405119
where:
bonds (distance) C4'-P energy: -35.481
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -40.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -471.646078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.646078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.646078 (E_RNA)
where:
Base-Base interactions energy: -309.166
where: short stacking energy: -129.669
Base-Backbone interact. energy: 2.586
local terms energy: -165.282007
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -40.052
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -30.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.216 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -507.363322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.363322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.363322 (E_RNA)
where:
Base-Base interactions energy: -352.978
where: short stacking energy: -151.479
Base-Backbone interact. energy: 0.586
local terms energy: -155.040866
where:
bonds (distance) C4'-P energy: -31.013
bonds (distance) P-C4' energy: -35.357
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -30.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.070 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -397.623268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.623268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.623268 (E_RNA)
where:
Base-Base interactions energy: -251.947
where: short stacking energy: -107.859
Base-Backbone interact. energy: -1.891
local terms energy: -143.784960
where:
bonds (distance) C4'-P energy: -36.018
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -17.746
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -410.804683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.804683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.804683 (E_RNA)
where:
Base-Base interactions energy: -260.388
where: short stacking energy: -119.272
Base-Backbone interact. energy: -0.152
local terms energy: -150.264108
where:
bonds (distance) C4'-P energy: -29.806
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -32.705
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -344.767498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.767498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.767498 (E_RNA)
where:
Base-Base interactions energy: -202.267
where: short stacking energy: -100.759
Base-Backbone interact. energy: -1.224
local terms energy: -141.275960
where:
bonds (distance) C4'-P energy: -29.992
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -291.738700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.738700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.738700 (E_RNA)
where:
Base-Base interactions energy: -167.737
where: short stacking energy: -83.851
Base-Backbone interact. energy: -0.700
local terms energy: -123.301878
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -36.217
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -238.168727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.168727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.168727 (E_RNA)
where:
Base-Base interactions energy: -126.922
where: short stacking energy: -55.117
Base-Backbone interact. energy: -0.330
local terms energy: -110.916275
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -172.262174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.262174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.262174 (E_RNA)
where:
Base-Base interactions energy: -69.780
where: short stacking energy: -60.595
Base-Backbone interact. energy: 1.484
local terms energy: -103.966520
where:
bonds (distance) C4'-P energy: -35.668
bonds (distance) P-C4' energy: -33.499
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -154.528789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.528789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.528789 (E_RNA)
where:
Base-Base interactions energy: -69.517
where: short stacking energy: -33.319
Base-Backbone interact. energy: -2.141
local terms energy: -83.048207
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: 2.197
tors. eta vs tors. theta energy: 2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.177 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -573.155292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.155292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.155292 (E_RNA)
where:
Base-Base interactions energy: -393.286
where: short stacking energy: -148.235
Base-Backbone interact. energy: -1.341
local terms energy: -178.527533
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -36.446
flat angles C4'-P-C4' energy: -38.346
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -42.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -522.493965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.493965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.493965 (E_RNA)
where:
Base-Base interactions energy: -358.132
where: short stacking energy: -151.752
Base-Backbone interact. energy: -0.572
local terms energy: -163.790089
where:
bonds (distance) C4'-P energy: -33.720
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -40.576
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -33.036
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: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -461.172828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.172828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.172828 (E_RNA)
where:
Base-Base interactions energy: -301.762
where: short stacking energy: -129.099
Base-Backbone interact. energy: 2.107
local terms energy: -162.463712
where:
bonds (distance) C4'-P energy: -33.533
bonds (distance) P-C4' energy: -36.790
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -34.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.946 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -425.330158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.330158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.330158 (E_RNA)
where:
Base-Base interactions energy: -273.207
where: short stacking energy: -130.688
Base-Backbone interact. energy: -1.116
local terms energy: -151.007706
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -28.397
flat angles C4'-P-C4' energy: -36.694
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: -36.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -409.543157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.543157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.543157 (E_RNA)
where:
Base-Base interactions energy: -253.818
where: short stacking energy: -129.493
Base-Backbone interact. energy: -0.566
local terms energy: -155.159219
where:
bonds (distance) C4'-P energy: -33.868
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -35.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -369.261661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.261661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.261661 (E_RNA)
where:
Base-Base interactions energy: -233.382
where: short stacking energy: -108.420
Base-Backbone interact. energy: -0.205
local terms energy: -135.674096
where:
bonds (distance) C4'-P energy: -27.490
bonds (distance) P-C4' energy: -32.984
flat angles C4'-P-C4' energy: -32.615
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -25.110
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: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -305.251610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.251610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.251610 (E_RNA)
where:
Base-Base interactions energy: -175.849
where: short stacking energy: -77.949
Base-Backbone interact. energy: -1.217
local terms energy: -128.184688
where:
bonds (distance) C4'-P energy: -38.503
bonds (distance) P-C4' energy: -31.340
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -14.440
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: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -191.793761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.793761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.793761 (E_RNA)
where:
Base-Base interactions energy: -86.618
where: short stacking energy: -64.278
Base-Backbone interact. energy: -1.616
local terms energy: -103.559278
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -35.953
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -6.096
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: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -238.082711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.082711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.082711 (E_RNA)
where:
Base-Base interactions energy: -109.374
where: short stacking energy: -58.636
Base-Backbone interact. energy: -0.425
local terms energy: -128.283697
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -31.301
flat angles P-C4'-P energy: -25.465
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -185.939919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.939919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.939919 (E_RNA)
where:
Base-Base interactions energy: -89.356
where: short stacking energy: -38.990
Base-Backbone interact. energy: -0.663
local terms energy: -95.921494
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -37.895
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: 1.750
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: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -574.909792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.909792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.909792 (E_RNA)
where:
Base-Base interactions energy: -413.534
where: short stacking energy: -157.774
Base-Backbone interact. energy: -2.068
local terms energy: -159.307976
where:
bonds (distance) C4'-P energy: -35.565
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -37.347
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -35.810
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: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -517.854319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.854319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.854319 (E_RNA)
where:
Base-Base interactions energy: -337.104
where: short stacking energy: -155.573
Base-Backbone interact. energy: -2.857
local terms energy: -177.893237
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -29.472
tors. eta vs tors. theta energy: -36.939
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: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -489.364509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.364509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.364509 (E_RNA)
where:
Base-Base interactions energy: -329.805
where: short stacking energy: -143.575
Base-Backbone interact. energy: -0.288
local terms energy: -159.270838
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -34.049
flat angles P-C4'-P energy: -26.838
tors. eta vs tors. theta energy: -35.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -409.381192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.381192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.381192 (E_RNA)
where:
Base-Base interactions energy: -266.843
where: short stacking energy: -110.575
Base-Backbone interact. energy: 0.321
local terms energy: -142.859884
where:
bonds (distance) C4'-P energy: -29.648
bonds (distance) P-C4' energy: -33.434
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -28.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -381.707209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.707209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.707209 (E_RNA)
where:
Base-Base interactions energy: -242.958
where: short stacking energy: -115.749
Base-Backbone interact. energy: -1.623
local terms energy: -137.126330
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -37.285
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -368.712459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.712459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.712459 (E_RNA)
where:
Base-Base interactions energy: -237.122
where: short stacking energy: -130.640
Base-Backbone interact. energy: -0.288
local terms energy: -131.302309
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -31.171
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -27.573
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: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -306.684764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.684764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.684764 (E_RNA)
where:
Base-Base interactions energy: -175.388
where: short stacking energy: -90.936
Base-Backbone interact. energy: 0.571
local terms energy: -131.867914
where:
bonds (distance) C4'-P energy: -32.595
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -34.465
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -184.919012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.919012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.919012 (E_RNA)
where:
Base-Base interactions energy: -72.821
where: short stacking energy: -49.469
Base-Backbone interact. energy: -1.486
local terms energy: -110.612455
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -34.574
flat angles C4'-P-C4' energy: -31.611
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -219.483018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.483018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.483018 (E_RNA)
where:
Base-Base interactions energy: -118.575
where: short stacking energy: -55.515
Base-Backbone interact. energy: -0.625
local terms energy: -100.282919
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -35.853
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: 1.066
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: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -146.473412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.473412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.473412 (E_RNA)
where:
Base-Base interactions energy: -50.565
where: short stacking energy: -40.505
Base-Backbone interact. energy: 1.821
local terms energy: -98.625360
where:
bonds (distance) C4'-P energy: -32.501
bonds (distance) P-C4' energy: -33.208
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: 8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.896 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -574.768583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.768583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.768583 (E_RNA)
where:
Base-Base interactions energy: -395.521
where: short stacking energy: -155.446
Base-Backbone interact. energy: -1.581
local terms energy: -177.666682
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -38.024
flat angles C4'-P-C4' energy: -37.765
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: -42.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -521.950988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.950988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.950988 (E_RNA)
where:
Base-Base interactions energy: -352.104
where: short stacking energy: -147.522
Base-Backbone interact. energy: 0.283
local terms energy: -170.129699
where:
bonds (distance) C4'-P energy: -36.084
bonds (distance) P-C4' energy: -36.659
flat angles C4'-P-C4' energy: -37.553
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -38.568
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: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -491.965012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.965012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.965012 (E_RNA)
where:
Base-Base interactions energy: -335.637
where: short stacking energy: -142.794
Base-Backbone interact. energy: -0.877
local terms energy: -155.916479
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -37.571
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -33.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.465 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -398.123816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.123816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.123816 (E_RNA)
where:
Base-Base interactions energy: -242.013
where: short stacking energy: -105.960
Base-Backbone interact. energy: -0.349
local terms energy: -155.762095
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -38.951
flat angles C4'-P-C4' energy: -35.077
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -29.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -403.015791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.015791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.015791 (E_RNA)
where:
Base-Base interactions energy: -238.921
where: short stacking energy: -110.673
Base-Backbone interact. energy: -0.121
local terms energy: -163.973614
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -31.876
flat angles C4'-P-C4' energy: -41.808
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -33.547
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: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -348.939043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.939043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.939043 (E_RNA)
where:
Base-Base interactions energy: -205.509
where: short stacking energy: -79.328
Base-Backbone interact. energy: -0.623
local terms energy: -142.807800
where:
bonds (distance) C4'-P energy: -35.909
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -20.913
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: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -293.615433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.615433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.615433 (E_RNA)
where:
Base-Base interactions energy: -175.173
where: short stacking energy: -81.916
Base-Backbone interact. energy: -0.828
local terms energy: -117.614296
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -36.862
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -267.918282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.918282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.918282 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.358
local terms energy: -135.907716
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -38.397
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: -10.256
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: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -166.606610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.606610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.606610 (E_RNA)
where:
Base-Base interactions energy: -51.124
where: short stacking energy: -38.951
Base-Backbone interact. energy: 7.051
local terms energy: -122.533626
where:
bonds (distance) C4'-P energy: -28.377
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: 3.243
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: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -162.884713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.884713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.884713 (E_RNA)
where:
Base-Base interactions energy: -52.066
where: short stacking energy: -37.801
Base-Backbone interact. energy: -0.909
local terms energy: -109.909498
where:
bonds (distance) C4'-P energy: -36.672
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: 1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -572.386185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.386185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.386185 (E_RNA)
where:
Base-Base interactions energy: -396.037
where: short stacking energy: -151.604
Base-Backbone interact. energy: -1.940
local terms energy: -174.539981
where:
bonds (distance) C4'-P energy: -32.701
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -37.421
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -37.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -520.058994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.058994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.058994 (E_RNA)
where:
Base-Base interactions energy: -351.755
where: short stacking energy: -146.054
Base-Backbone interact. energy: -1.774
local terms energy: -166.529767
where:
bonds (distance) C4'-P energy: -31.867
bonds (distance) P-C4' energy: -37.968
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -41.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -506.941757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.941757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.941757 (E_RNA)
where:
Base-Base interactions energy: -338.192
where: short stacking energy: -153.127
Base-Backbone interact. energy: 0.903
local terms energy: -169.652532
where:
bonds (distance) C4'-P energy: -37.546
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -40.422
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: -37.980
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: 74
Temperature: 1.050000
Total energy: -382.805293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.805293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.805293 (E_RNA)
where:
Base-Base interactions energy: -227.164
where: short stacking energy: -119.708
Base-Backbone interact. energy: -0.863
local terms energy: -155.055099
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -35.066
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -22.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.277 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -396.488662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.488662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.488662 (E_RNA)
where:
Base-Base interactions energy: -249.213
where: short stacking energy: -117.325
Base-Backbone interact. energy: 0.083
local terms energy: -147.358970
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -32.768
flat angles C4'-P-C4' energy: -39.541
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -25.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -370.983573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.983573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.983573 (E_RNA)
where:
Base-Base interactions energy: -228.709
where: short stacking energy: -96.755
Base-Backbone interact. energy: -0.419
local terms energy: -141.855465
where:
bonds (distance) C4'-P energy: -36.929
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -28.408
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -12.409
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: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -313.324949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.324949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.324949 (E_RNA)
where:
Base-Base interactions energy: -179.417
where: short stacking energy: -90.643
Base-Backbone interact. energy: -0.744
local terms energy: -133.230647
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -298.151188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.151188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.151188 (E_RNA)
where:
Base-Base interactions energy: -170.554
where: short stacking energy: -88.382
Base-Backbone interact. energy: -0.485
local terms energy: -128.330681
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.219 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -160.624752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.624752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.624752 (E_RNA)
where:
Base-Base interactions energy: -57.960
where: short stacking energy: -32.194
Base-Backbone interact. energy: -1.030
local terms energy: -102.188944
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -33.859
flat angles C4'-P-C4' energy: -28.367
flat angles P-C4'-P energy: -22.472
tors. eta vs tors. theta energy: 7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.554 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -168.852964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.852964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.852964 (E_RNA)
where:
Base-Base interactions energy: -63.577
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.690
local terms energy: -104.586271
where:
bonds (distance) C4'-P energy: -36.140
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -33.497
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: -5.563
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: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -559.727829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.727829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.727829 (E_RNA)
where:
Base-Base interactions energy: -388.567
where: short stacking energy: -151.894
Base-Backbone interact. energy: -1.331
local terms energy: -169.830029
where:
bonds (distance) C4'-P energy: -35.270
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -41.967
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -38.090
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: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -517.800034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.800034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.800034 (E_RNA)
where:
Base-Base interactions energy: -342.629
where: short stacking energy: -145.735
Base-Backbone interact. energy: -0.384
local terms energy: -174.786889
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -35.288
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -38.255
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: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -496.084967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.084967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.084967 (E_RNA)
where:
Base-Base interactions energy: -323.247
where: short stacking energy: -137.900
Base-Backbone interact. energy: -2.005
local terms energy: -170.832426
where:
bonds (distance) C4'-P energy: -34.355
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -39.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -411.672811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.672811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.672811 (E_RNA)
where:
Base-Base interactions energy: -246.538
where: short stacking energy: -108.666
Base-Backbone interact. energy: -1.657
local terms energy: -163.478140
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -40.927
flat angles P-C4'-P energy: -28.407
tors. eta vs tors. theta energy: -33.328
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: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -400.866581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.866581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.866581 (E_RNA)
where:
Base-Base interactions energy: -259.406
where: short stacking energy: -118.538
Base-Backbone interact. energy: -2.504
local terms energy: -138.956384
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -29.337
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -24.692
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: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -337.094837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.094837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.094837 (E_RNA)
where:
Base-Base interactions energy: -206.972
where: short stacking energy: -97.428
Base-Backbone interact. energy: -0.142
local terms energy: -129.981095
where:
bonds (distance) C4'-P energy: -28.981
bonds (distance) P-C4' energy: -28.896
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -288.305641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.305641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.305641 (E_RNA)
where:
Base-Base interactions energy: -162.007
where: short stacking energy: -78.051
Base-Backbone interact. energy: -0.582
local terms energy: -125.716895
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -35.113
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -297.660217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.660217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.660217 (E_RNA)
where:
Base-Base interactions energy: -176.932
where: short stacking energy: -83.825
Base-Backbone interact. energy: -1.193
local terms energy: -119.534599
where:
bonds (distance) C4'-P energy: -27.896
bonds (distance) P-C4' energy: -35.486
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -174.319886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.319886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.319886 (E_RNA)
where:
Base-Base interactions energy: -62.741
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.226
local terms energy: -111.353205
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -33.917
flat angles P-C4'-P energy: -20.925
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: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -169.337953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.337953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.337953 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -37.738
Base-Backbone interact. energy: -0.148
local terms energy: -100.908831
where:
bonds (distance) C4'-P energy: -27.379
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: 2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -557.568634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.568634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.568634 (E_RNA)
where:
Base-Base interactions energy: -383.256
where: short stacking energy: -135.942
Base-Backbone interact. energy: -2.789
local terms energy: -171.523859
where:
bonds (distance) C4'-P energy: -32.372
bonds (distance) P-C4' energy: -38.384
flat angles C4'-P-C4' energy: -38.886
flat angles P-C4'-P energy: -28.592
tors. eta vs tors. theta energy: -33.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -518.157398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.157398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.157398 (E_RNA)
where:
Base-Base interactions energy: -337.337
where: short stacking energy: -147.778
Base-Backbone interact. energy: 0.501
local terms energy: -181.320961
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -40.127
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -48.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -498.327569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.327569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.327569 (E_RNA)
where:
Base-Base interactions energy: -335.981
where: short stacking energy: -136.534
Base-Backbone interact. energy: -1.550
local terms energy: -160.797310
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -35.225
flat angles C4'-P-C4' energy: -37.586
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -26.260
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: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -400.849650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.849650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.849650 (E_RNA)
where:
Base-Base interactions energy: -253.240
where: short stacking energy: -111.417
Base-Backbone interact. energy: 0.612
local terms energy: -148.222342
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -34.474
flat angles C4'-P-C4' energy: -38.821
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -366.258359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.258359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.258359 (E_RNA)
where:
Base-Base interactions energy: -240.183
where: short stacking energy: -106.666
Base-Backbone interact. energy: -0.458
local terms energy: -125.617094
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -380.363957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.363957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.363957 (E_RNA)
where:
Base-Base interactions energy: -241.083
where: short stacking energy: -104.730
Base-Backbone interact. energy: -2.173
local terms energy: -137.108264
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -36.665
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -23.561
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: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -346.963431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.963431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.963431 (E_RNA)
where:
Base-Base interactions energy: -212.118
where: short stacking energy: -95.652
Base-Backbone interact. energy: 3.067
local terms energy: -138.934078
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.022 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -312.961141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.961141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.961141 (E_RNA)
where:
Base-Base interactions energy: -195.184
where: short stacking energy: -86.287
Base-Backbone interact. energy: 6.928
local terms energy: -124.704868
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -30.213
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -172.462839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.462839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.462839 (E_RNA)
where:
Base-Base interactions energy: -78.903
where: short stacking energy: -54.328
Base-Backbone interact. energy: 0.893
local terms energy: -94.452297
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -28.563
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -164.395050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.395050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.395050 (E_RNA)
where:
Base-Base interactions energy: -63.178
where: short stacking energy: -48.376
Base-Backbone interact. energy: -0.349
local terms energy: -100.868398
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -4.264
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: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -560.313321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.313321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.313321 (E_RNA)
where:
Base-Base interactions energy: -391.734
where: short stacking energy: -134.596
Base-Backbone interact. energy: -2.764
local terms energy: -165.815139
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -36.723
flat angles C4'-P-C4' energy: -36.785
flat angles P-C4'-P energy: -19.341
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: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -503.504715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.504715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.504715 (E_RNA)
where:
Base-Base interactions energy: -331.633
where: short stacking energy: -133.591
Base-Backbone interact. energy: -1.595
local terms energy: -170.276514
where:
bonds (distance) C4'-P energy: -32.678
bonds (distance) P-C4' energy: -37.389
flat angles C4'-P-C4' energy: -41.972
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -32.978
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: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -517.302969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.302969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.302969 (E_RNA)
where:
Base-Base interactions energy: -359.501
where: short stacking energy: -126.974
Base-Backbone interact. energy: -1.477
local terms energy: -156.324957
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -34.435
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -33.291
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: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -421.743344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.743344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.743344 (E_RNA)
where:
Base-Base interactions energy: -261.923
where: short stacking energy: -119.660
Base-Backbone interact. energy: -0.485
local terms energy: -159.335914
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -31.664
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -29.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -356.344836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.344836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.344836 (E_RNA)
where:
Base-Base interactions energy: -218.766
where: short stacking energy: -106.134
Base-Backbone interact. energy: -0.900
local terms energy: -136.679384
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -32.539
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -324.058390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.058390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.058390 (E_RNA)
where:
Base-Base interactions energy: -188.722
where: short stacking energy: -89.382
Base-Backbone interact. energy: -2.719
local terms energy: -132.617675
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -33.684
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -11.671
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: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -358.248611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.248611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.248611 (E_RNA)
where:
Base-Base interactions energy: -221.978
where: short stacking energy: -98.230
Base-Backbone interact. energy: -0.918
local terms energy: -135.352959
where:
bonds (distance) C4'-P energy: -33.355
bonds (distance) P-C4' energy: -38.205
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -318.053701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.053701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.053701 (E_RNA)
where:
Base-Base interactions energy: -200.593
where: short stacking energy: -87.339
Base-Backbone interact. energy: -1.070
local terms energy: -116.390586
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -168.421390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.421390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.421390 (E_RNA)
where:
Base-Base interactions energy: -58.602
where: short stacking energy: -46.287
Base-Backbone interact. energy: -0.627
local terms energy: -109.192481
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: 0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -162.069254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.069254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.069254 (E_RNA)
where:
Base-Base interactions energy: -69.304
where: short stacking energy: -42.692
Base-Backbone interact. energy: 0.507
local terms energy: -93.272491
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: 4.487
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: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -544.991898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.991898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.991898 (E_RNA)
where:
Base-Base interactions energy: -369.968
where: short stacking energy: -149.990
Base-Backbone interact. energy: -2.207
local terms energy: -172.816962
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -39.224
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -37.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -517.346522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.346522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.346522 (E_RNA)
where:
Base-Base interactions energy: -351.639
where: short stacking energy: -138.111
Base-Backbone interact. energy: -0.219
local terms energy: -165.488872
where:
bonds (distance) C4'-P energy: -34.524
bonds (distance) P-C4' energy: -40.911
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -29.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -531.260686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.260686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.260686 (E_RNA)
where:
Base-Base interactions energy: -374.705
where: short stacking energy: -138.470
Base-Backbone interact. energy: -0.238
local terms energy: -156.317955
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -35.479
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -40.107
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: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -415.199995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.199995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.199995 (E_RNA)
where:
Base-Base interactions energy: -255.087
where: short stacking energy: -113.622
Base-Backbone interact. energy: -0.645
local terms energy: -159.467724
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -38.294
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -32.712
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: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -384.071116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.071116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.071116 (E_RNA)
where:
Base-Base interactions energy: -243.321
where: short stacking energy: -108.201
Base-Backbone interact. energy: -2.008
local terms energy: -138.742139
where:
bonds (distance) C4'-P energy: -36.533
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -35.367
flat angles P-C4'-P energy: -26.921
tors. eta vs tors. theta energy: -18.910
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: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -321.111982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.111982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.111982 (E_RNA)
where:
Base-Base interactions energy: -196.717
where: short stacking energy: -96.619
Base-Backbone interact. energy: -0.471
local terms energy: -123.924939
where:
bonds (distance) C4'-P energy: -32.812
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -28.459
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -340.852684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.852684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.852684 (E_RNA)
where:
Base-Base interactions energy: -207.256
where: short stacking energy: -100.768
Base-Backbone interact. energy: -0.382
local terms energy: -133.306840
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.092 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -319.665286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.665286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.665286 (E_RNA)
where:
Base-Base interactions energy: -195.647
where: short stacking energy: -86.181
Base-Backbone interact. energy: -0.275
local terms energy: -124.936358
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.193 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -185.896619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.896619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.896619 (E_RNA)
where:
Base-Base interactions energy: -73.092
where: short stacking energy: -48.116
Base-Backbone interact. energy: -1.636
local terms energy: -111.169057
where:
bonds (distance) C4'-P energy: -29.586
bonds (distance) P-C4' energy: -36.282
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: 4.574
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: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -155.227789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.227789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.227789 (E_RNA)
where:
Base-Base interactions energy: -68.222
where: short stacking energy: -43.489
Base-Backbone interact. energy: 0.253
local terms energy: -87.258516
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: 4.415
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: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -543.731199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.731199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.731199 (E_RNA)
where:
Base-Base interactions energy: -372.681
where: short stacking energy: -143.156
Base-Backbone interact. energy: 0.309
local terms energy: -171.359285
where:
bonds (distance) C4'-P energy: -39.587
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -27.628
tors. eta vs tors. theta energy: -36.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -518.222536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.222536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.222536 (E_RNA)
where:
Base-Base interactions energy: -359.127
where: short stacking energy: -141.821
Base-Backbone interact. energy: -0.877
local terms energy: -159.468779
where:
bonds (distance) C4'-P energy: -30.857
bonds (distance) P-C4' energy: -32.988
flat angles C4'-P-C4' energy: -40.982
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: -31.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.250 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -508.679042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.679042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.679042 (E_RNA)
where:
Base-Base interactions energy: -343.544
where: short stacking energy: -130.361
Base-Backbone interact. energy: -1.218
local terms energy: -163.916911
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -36.806
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -36.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -415.040904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.040904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.040904 (E_RNA)
where:
Base-Base interactions energy: -247.141
where: short stacking energy: -118.280
Base-Backbone interact. energy: 0.794
local terms energy: -168.693558
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -39.460
flat angles C4'-P-C4' energy: -42.756
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -33.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -368.804933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.804933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.804933 (E_RNA)
where:
Base-Base interactions energy: -221.569
where: short stacking energy: -112.301
Base-Backbone interact. energy: -0.210
local terms energy: -147.025253
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -31.513
flat angles C4'-P-C4' energy: -32.924
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -28.765
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: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -337.661964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.661964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.661964 (E_RNA)
where:
Base-Base interactions energy: -195.121
where: short stacking energy: -104.960
Base-Backbone interact. energy: -0.517
local terms energy: -142.023752
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -27.028
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: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -286.396629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.396629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.396629 (E_RNA)
where:
Base-Base interactions energy: -158.022
where: short stacking energy: -80.149
Base-Backbone interact. energy: -1.255
local terms energy: -127.120001
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -6.354
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: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -305.124893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.124893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.124893 (E_RNA)
where:
Base-Base interactions energy: -184.400
where: short stacking energy: -80.130
Base-Backbone interact. energy: 0.983
local terms energy: -121.707053
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -39.106
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -180.385566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.385566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.385566 (E_RNA)
where:
Base-Base interactions energy: -93.258
where: short stacking energy: -61.065
Base-Backbone interact. energy: -0.619
local terms energy: -86.509178
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -227.200138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.200138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.200138 (E_RNA)
where:
Base-Base interactions energy: -112.141
where: short stacking energy: -69.063
Base-Backbone interact. energy: 0.635
local terms energy: -115.694120
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -31.478
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -566.063035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.063035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.063035 (E_RNA)
where:
Base-Base interactions energy: -387.418
where: short stacking energy: -155.893
Base-Backbone interact. energy: 2.025
local terms energy: -180.670545
where:
bonds (distance) C4'-P energy: -42.728
bonds (distance) P-C4' energy: -37.262
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -19.873
tors. eta vs tors. theta energy: -41.312
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: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -531.206898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.206898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.206898 (E_RNA)
where:
Base-Base interactions energy: -354.770
where: short stacking energy: -147.340
Base-Backbone interact. energy: -1.807
local terms energy: -174.630483
where:
bonds (distance) C4'-P energy: -31.953
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -29.142
tors. eta vs tors. theta energy: -38.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -533.854747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.854747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.854747 (E_RNA)
where:
Base-Base interactions energy: -357.672
where: short stacking energy: -129.781
Base-Backbone interact. energy: -0.713
local terms energy: -175.469660
where:
bonds (distance) C4'-P energy: -34.553
bonds (distance) P-C4' energy: -38.994
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -29.028
tors. eta vs tors. theta energy: -41.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -391.547690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.547690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.547690 (E_RNA)
where:
Base-Base interactions energy: -240.616
where: short stacking energy: -120.796
Base-Backbone interact. energy: -0.249
local terms energy: -150.682463
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -35.818
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -27.039
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: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -366.148811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.148811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.148811 (E_RNA)
where:
Base-Base interactions energy: -218.881
where: short stacking energy: -105.066
Base-Backbone interact. energy: -0.312
local terms energy: -146.955567
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -40.623
flat angles P-C4'-P energy: -23.063
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -335.943104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.943104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.943104 (E_RNA)
where:
Base-Base interactions energy: -205.666
where: short stacking energy: -91.258
Base-Backbone interact. energy: -0.079
local terms energy: -130.197964
where:
bonds (distance) C4'-P energy: -37.443
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -330.616777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.616777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.616777 (E_RNA)
where:
Base-Base interactions energy: -204.439
where: short stacking energy: -82.663
Base-Backbone interact. energy: -0.614
local terms energy: -128.769836
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.206 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -283.348879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.348879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.348879 (E_RNA)
where:
Base-Base interactions energy: -164.662
where: short stacking energy: -81.106
Base-Backbone interact. energy: 2.032
local terms energy: -120.718933
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -212.635063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.635063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.635063 (E_RNA)
where:
Base-Base interactions energy: -99.087
where: short stacking energy: -58.155
Base-Backbone interact. energy: 1.089
local terms energy: -114.637715
where:
bonds (distance) C4'-P energy: -35.536
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -3.179
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: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -171.250027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.250027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.250027 (E_RNA)
where:
Base-Base interactions energy: -93.564
where: short stacking energy: -64.346
Base-Backbone interact. energy: 0.421
local terms energy: -78.106929
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -34.587
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: 2.885
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: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -563.504010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.504010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.504010 (E_RNA)
where:
Base-Base interactions energy: -383.100
where: short stacking energy: -153.987
Base-Backbone interact. energy: -1.787
local terms energy: -178.617256
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -37.604
flat angles C4'-P-C4' energy: -39.929
flat angles P-C4'-P energy: -26.719
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: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -519.216607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.216607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.216607 (E_RNA)
where:
Base-Base interactions energy: -352.488
where: short stacking energy: -147.247
Base-Backbone interact. energy: -0.730
local terms energy: -166.492499
where:
bonds (distance) C4'-P energy: -30.893
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -39.511
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -39.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.494 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -513.682107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.682107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.682107 (E_RNA)
where:
Base-Base interactions energy: -360.285
where: short stacking energy: -164.168
Base-Backbone interact. energy: 0.255
local terms energy: -153.652134
where:
bonds (distance) C4'-P energy: -38.926
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -38.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -394.620286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.620286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.620286 (E_RNA)
where:
Base-Base interactions energy: -246.137
where: short stacking energy: -105.192
Base-Backbone interact. energy: 0.591
local terms energy: -149.073872
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -35.347
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -17.073
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: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -370.084793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.084793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.084793 (E_RNA)
where:
Base-Base interactions energy: -218.721
where: short stacking energy: -102.038
Base-Backbone interact. energy: -1.521
local terms energy: -149.843056
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -21.089
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: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -393.452659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.452659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.452659 (E_RNA)
where:
Base-Base interactions energy: -242.759
where: short stacking energy: -112.041
Base-Backbone interact. energy: -1.419
local terms energy: -149.274945
where:
bonds (distance) C4'-P energy: -30.744
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -33.649
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -27.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -308.303321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.303321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.303321 (E_RNA)
where:
Base-Base interactions energy: -175.706
where: short stacking energy: -82.822
Base-Backbone interact. energy: -0.572
local terms energy: -132.024982
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -13.506
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: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -256.849272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.849272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.849272 (E_RNA)
where:
Base-Base interactions energy: -139.010
where: short stacking energy: -67.295
Base-Backbone interact. energy: -0.781
local terms energy: -117.058570
where:
bonds (distance) C4'-P energy: -32.815
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -298.071492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.071492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.071492 (E_RNA)
where:
Base-Base interactions energy: -181.994
where: short stacking energy: -78.484
Base-Backbone interact. energy: 1.483
local terms energy: -117.936530
where:
bonds (distance) C4'-P energy: -30.295
bonds (distance) P-C4' energy: -34.380
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.376 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -210.815527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.815527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.815527 (E_RNA)
where:
Base-Base interactions energy: -105.721
where: short stacking energy: -52.728
Base-Backbone interact. energy: 1.055
local terms energy: -106.149091
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -38.083
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: 3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -564.405121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.405121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.405121 (E_RNA)
where:
Base-Base interactions energy: -387.894
where: short stacking energy: -147.108
Base-Backbone interact. energy: -1.455
local terms energy: -175.056574
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -40.880
flat angles C4'-P-C4' energy: -40.211
flat angles P-C4'-P energy: -27.377
tors. eta vs tors. theta energy: -32.041
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: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -508.609610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.609610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.609610 (E_RNA)
where:
Base-Base interactions energy: -336.565
where: short stacking energy: -127.466
Base-Backbone interact. energy: -0.844
local terms energy: -173.457216
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -36.923
flat angles C4'-P-C4' energy: -39.947
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: -33.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.256 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -487.670270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.670270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.670270 (E_RNA)
where:
Base-Base interactions energy: -320.155
where: short stacking energy: -134.014
Base-Backbone interact. energy: 5.405
local terms energy: -172.920580
where:
bonds (distance) C4'-P energy: -39.826
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -39.093
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -35.295
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: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -379.547099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.547099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.547099 (E_RNA)
where:
Base-Base interactions energy: -237.294
where: short stacking energy: -115.336
Base-Backbone interact. energy: 0.182
local terms energy: -142.434779
where:
bonds (distance) C4'-P energy: -25.174
bonds (distance) P-C4' energy: -40.029
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -389.605578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.605578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.605578 (E_RNA)
where:
Base-Base interactions energy: -259.720
where: short stacking energy: -103.406
Base-Backbone interact. energy: -1.104
local terms energy: -128.781315
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -348.338481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.338481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.338481 (E_RNA)
where:
Base-Base interactions energy: -203.000
where: short stacking energy: -100.246
Base-Backbone interact. energy: -0.723
local terms energy: -145.518505
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -34.035
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.904 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -316.178277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.178277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.178277 (E_RNA)
where:
Base-Base interactions energy: -177.307
where: short stacking energy: -87.903
Base-Backbone interact. energy: -2.023
local terms energy: -136.848351
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -254.705480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.705480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.705480 (E_RNA)
where:
Base-Base interactions energy: -131.897
where: short stacking energy: -70.261
Base-Backbone interact. energy: 0.508
local terms energy: -123.316420
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -3.503
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: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -316.001347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.001347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.001347 (E_RNA)
where:
Base-Base interactions energy: -192.928
where: short stacking energy: -91.179
Base-Backbone interact. energy: 1.463
local terms energy: -124.535979
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -221.412185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.412185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.412185 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -49.908
Base-Backbone interact. energy: 2.302
local terms energy: -126.671696
where:
bonds (distance) C4'-P energy: -31.295
bonds (distance) P-C4' energy: -38.309
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -561.301720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.301720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.301720 (E_RNA)
where:
Base-Base interactions energy: -399.444
where: short stacking energy: -154.109
Base-Backbone interact. energy: -3.973
local terms energy: -157.884588
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -27.968
tors. eta vs tors. theta energy: -35.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -509.942566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.942566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.942566 (E_RNA)
where:
Base-Base interactions energy: -345.652
where: short stacking energy: -130.753
Base-Backbone interact. energy: -0.591
local terms energy: -163.698762
where:
bonds (distance) C4'-P energy: -35.622
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -34.390
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: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -491.999458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.999458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.999458 (E_RNA)
where:
Base-Base interactions energy: -344.315
where: short stacking energy: -145.074
Base-Backbone interact. energy: 3.035
local terms energy: -150.718590
where:
bonds (distance) C4'-P energy: -33.733
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -32.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -424.184619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.184619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.184619 (E_RNA)
where:
Base-Base interactions energy: -262.793
where: short stacking energy: -123.850
Base-Backbone interact. energy: -1.068
local terms energy: -160.323525
where:
bonds (distance) C4'-P energy: -37.708
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -41.471
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -32.965
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: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -353.693990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.693990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.693990 (E_RNA)
where:
Base-Base interactions energy: -198.159
where: short stacking energy: -114.880
Base-Backbone interact. energy: -0.355
local terms energy: -155.179513
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -38.799
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -339.442023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.442023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.442023 (E_RNA)
where:
Base-Base interactions energy: -203.952
where: short stacking energy: -116.182
Base-Backbone interact. energy: -1.630
local terms energy: -133.860295
where:
bonds (distance) C4'-P energy: -27.422
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -27.486
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: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -338.491040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.491040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.491040 (E_RNA)
where:
Base-Base interactions energy: -205.813
where: short stacking energy: -80.975
Base-Backbone interact. energy: 1.244
local terms energy: -133.922586
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -39.132
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -312.644038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.644038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.644038 (E_RNA)
where:
Base-Base interactions energy: -188.966
where: short stacking energy: -84.685
Base-Backbone interact. energy: 3.099
local terms energy: -126.776758
where:
bonds (distance) C4'-P energy: -30.437
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -17.867
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: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -228.363292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.363292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.363292 (E_RNA)
where:
Base-Base interactions energy: -124.486
where: short stacking energy: -60.967
Base-Backbone interact. energy: -1.724
local terms energy: -102.153085
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -225.797423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.797423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.797423 (E_RNA)
where:
Base-Base interactions energy: -129.341
where: short stacking energy: -72.618
Base-Backbone interact. energy: 4.554
local terms energy: -101.010706
where:
bonds (distance) C4'-P energy: -31.104
bonds (distance) P-C4' energy: -27.499
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: 7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -564.192247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.192247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.192247 (E_RNA)
where:
Base-Base interactions energy: -393.514
where: short stacking energy: -142.898
Base-Backbone interact. energy: -1.434
local terms energy: -169.243897
where:
bonds (distance) C4'-P energy: -34.272
bonds (distance) P-C4' energy: -42.159
flat angles C4'-P-C4' energy: -32.679
flat angles P-C4'-P energy: -25.554
tors. eta vs tors. theta energy: -34.580
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: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -512.183405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.183405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.183405 (E_RNA)
where:
Base-Base interactions energy: -330.157
where: short stacking energy: -136.130
Base-Backbone interact. energy: -0.412
local terms energy: -181.614011
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -46.226
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: -37.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -489.275295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.275295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.275295 (E_RNA)
where:
Base-Base interactions energy: -317.278
where: short stacking energy: -132.834
Base-Backbone interact. energy: -2.001
local terms energy: -170.699554
where:
bonds (distance) C4'-P energy: -37.641
bonds (distance) P-C4' energy: -41.592
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -27.891
tors. eta vs tors. theta energy: -29.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.703 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -423.579342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.579342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.579342 (E_RNA)
where:
Base-Base interactions energy: -277.461
where: short stacking energy: -117.915
Base-Backbone interact. energy: -0.316
local terms energy: -147.070349
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.268 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -370.022557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.022557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.022557 (E_RNA)
where:
Base-Base interactions energy: -223.018
where: short stacking energy: -103.642
Base-Backbone interact. energy: -0.334
local terms energy: -146.670918
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -24.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -334.556389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.556389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.556389 (E_RNA)
where:
Base-Base interactions energy: -186.182
where: short stacking energy: -101.688
Base-Backbone interact. energy: -0.156
local terms energy: -148.218424
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -36.128
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -22.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -324.348072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.348072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.348072 (E_RNA)
where:
Base-Base interactions energy: -196.982
where: short stacking energy: -85.110
Base-Backbone interact. energy: -0.378
local terms energy: -126.987259
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -322.850929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.850929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.850929 (E_RNA)
where:
Base-Base interactions energy: -189.519
where: short stacking energy: -85.227
Base-Backbone interact. energy: -0.852
local terms energy: -132.480246
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -34.438
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -226.526383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.526383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.526383 (E_RNA)
where:
Base-Base interactions energy: -111.576
where: short stacking energy: -72.113
Base-Backbone interact. energy: -0.667
local terms energy: -114.283793
where:
bonds (distance) C4'-P energy: -34.708
bonds (distance) P-C4' energy: -36.740
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -234.493928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.493928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.493928 (E_RNA)
where:
Base-Base interactions energy: -130.249
where: short stacking energy: -66.625
Base-Backbone interact. energy: -0.745
local terms energy: -103.500545
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -569.626162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.626162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.626162 (E_RNA)
where:
Base-Base interactions energy: -390.663
where: short stacking energy: -150.244
Base-Backbone interact. energy: -2.592
local terms energy: -176.371161
where:
bonds (distance) C4'-P energy: -37.874
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -38.197
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -40.404
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: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -510.554102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.554102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.554102 (E_RNA)
where:
Base-Base interactions energy: -358.068
where: short stacking energy: -142.898
Base-Backbone interact. energy: 4.527
local terms energy: -157.013013
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -40.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -525.682681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.682681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.682681 (E_RNA)
where:
Base-Base interactions energy: -361.722
where: short stacking energy: -154.426
Base-Backbone interact. energy: -1.045
local terms energy: -162.916160
where:
bonds (distance) C4'-P energy: -31.892
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -34.908
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -38.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -439.844975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.844975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.844975 (E_RNA)
where:
Base-Base interactions energy: -282.297
where: short stacking energy: -139.131
Base-Backbone interact. energy: -0.512
local terms energy: -157.036382
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -36.173
flat angles P-C4'-P energy: -27.757
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: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -380.847861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.847861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.847861 (E_RNA)
where:
Base-Base interactions energy: -219.550
where: short stacking energy: -110.238
Base-Backbone interact. energy: 0.586
local terms energy: -161.883035
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -31.468
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -33.888
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: 85
Temperature: 1.150000
Total energy: -359.239640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.239640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.239640 (E_RNA)
where:
Base-Base interactions energy: -217.710
where: short stacking energy: -104.643
Base-Backbone interact. energy: 3.276
local terms energy: -144.805750
where:
bonds (distance) C4'-P energy: -36.361
bonds (distance) P-C4' energy: -35.277
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -316.196137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.196137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.196137 (E_RNA)
where:
Base-Base interactions energy: -190.517
where: short stacking energy: -81.791
Base-Backbone interact. energy: -0.525
local terms energy: -125.153682
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -344.364555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.364555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.364555 (E_RNA)
where:
Base-Base interactions energy: -207.893
where: short stacking energy: -91.196
Base-Backbone interact. energy: 2.005
local terms energy: -138.476846
where:
bonds (distance) C4'-P energy: -36.127
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -17.430
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: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -219.814133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.814133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.814133 (E_RNA)
where:
Base-Base interactions energy: -108.697
where: short stacking energy: -64.659
Base-Backbone interact. energy: -1.325
local terms energy: -110.419039
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.627 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -222.616643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.616643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.616643 (E_RNA)
where:
Base-Base interactions energy: -108.491
where: short stacking energy: -67.538
Base-Backbone interact. energy: -0.090
local terms energy: -114.389108
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.353 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -568.595218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.595218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.595218 (E_RNA)
where:
Base-Base interactions energy: -391.188
where: short stacking energy: -148.577
Base-Backbone interact. energy: -3.040
local terms energy: -174.366877
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -34.603
flat angles C4'-P-C4' energy: -39.720
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -36.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -517.519067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.519067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.519067 (E_RNA)
where:
Base-Base interactions energy: -349.233
where: short stacking energy: -132.058
Base-Backbone interact. energy: -1.035
local terms energy: -167.352869
where:
bonds (distance) C4'-P energy: -36.930
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -28.255
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: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -512.092103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.092103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.092103 (E_RNA)
where:
Base-Base interactions energy: -353.318
where: short stacking energy: -141.573
Base-Backbone interact. energy: 0.108
local terms energy: -159.510720
where:
bonds (distance) C4'-P energy: -30.323
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -41.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.629 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -433.804653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.804653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.804653 (E_RNA)
where:
Base-Base interactions energy: -264.705
where: short stacking energy: -128.315
Base-Backbone interact. energy: 0.568
local terms energy: -169.667046
where:
bonds (distance) C4'-P energy: -38.902
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -37.320
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -36.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -375.625692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.625692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.625692 (E_RNA)
where:
Base-Base interactions energy: -230.145
where: short stacking energy: -112.367
Base-Backbone interact. energy: -0.688
local terms energy: -144.793025
where:
bonds (distance) C4'-P energy: -39.293
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -340.953491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.953491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.953491 (E_RNA)
where:
Base-Base interactions energy: -207.317
where: short stacking energy: -107.250
Base-Backbone interact. energy: -0.630
local terms energy: -133.006439
where:
bonds (distance) C4'-P energy: -28.981
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -28.717
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -21.626
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: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -346.351871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.351871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.351871 (E_RNA)
where:
Base-Base interactions energy: -223.064
where: short stacking energy: -105.752
Base-Backbone interact. energy: -1.480
local terms energy: -121.807354
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -19.751
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: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -299.592564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.592564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.592564 (E_RNA)
where:
Base-Base interactions energy: -187.281
where: short stacking energy: -77.829
Base-Backbone interact. energy: 1.566
local terms energy: -113.877541
where:
bonds (distance) C4'-P energy: -28.707
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -28.955
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -2.413
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: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -222.916503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.916503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.916503 (E_RNA)
where:
Base-Base interactions energy: -111.765
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.464
local terms energy: -110.994597
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -33.023
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.307 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -216.856507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.856507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.856507 (E_RNA)
where:
Base-Base interactions energy: -107.865
where: short stacking energy: -66.976
Base-Backbone interact. energy: 0.513
local terms energy: -109.744920
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -37.931
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -562.575049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.575049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.575049 (E_RNA)
where:
Base-Base interactions energy: -378.608
where: short stacking energy: -145.532
Base-Backbone interact. energy: -1.016
local terms energy: -182.950962
where:
bonds (distance) C4'-P energy: -37.589
bonds (distance) P-C4' energy: -40.490
flat angles C4'-P-C4' energy: -42.791
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -38.638
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: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -552.769580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.769580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.769580 (E_RNA)
where:
Base-Base interactions energy: -374.718
where: short stacking energy: -155.694
Base-Backbone interact. energy: -1.785
local terms energy: -176.937858
where:
bonds (distance) C4'-P energy: -35.088
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -50.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.671 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -502.101203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.101203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.101203 (E_RNA)
where:
Base-Base interactions energy: -331.170
where: short stacking energy: -143.332
Base-Backbone interact. energy: -1.476
local terms energy: -169.455811
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -36.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -429.152122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.152122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.152122 (E_RNA)
where:
Base-Base interactions energy: -287.300
where: short stacking energy: -111.230
Base-Backbone interact. energy: -0.530
local terms energy: -141.322155
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -372.669558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.669558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.669558 (E_RNA)
where:
Base-Base interactions energy: -232.127
where: short stacking energy: -111.297
Base-Backbone interact. energy: -0.750
local terms energy: -139.791940
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -27.363
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: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -355.567209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.567209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.567209 (E_RNA)
where:
Base-Base interactions energy: -209.514
where: short stacking energy: -97.033
Base-Backbone interact. energy: -0.742
local terms energy: -145.311269
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -36.328
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -19.078
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: 87
Temperature: 1.200000
Total energy: -356.718754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.718754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.718754 (E_RNA)
where:
Base-Base interactions energy: -230.034
where: short stacking energy: -109.921
Base-Backbone interact. energy: -1.344
local terms energy: -125.340641
where:
bonds (distance) C4'-P energy: -35.541
bonds (distance) P-C4' energy: -28.441
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -306.048355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.048355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.048355 (E_RNA)
where:
Base-Base interactions energy: -170.335
where: short stacking energy: -78.168
Base-Backbone interact. energy: -2.066
local terms energy: -133.647411
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -34.642
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -17.690
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: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -225.623508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.623508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.623508 (E_RNA)
where:
Base-Base interactions energy: -117.674
where: short stacking energy: -70.711
Base-Backbone interact. energy: 0.620
local terms energy: -108.569729
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -223.428121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.428121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.428121 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -81.187
Base-Backbone interact. energy: 5.862
local terms energy: -104.680432
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -31.020
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -8.544
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: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -567.754444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.754444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.754444 (E_RNA)
where:
Base-Base interactions energy: -389.806
where: short stacking energy: -153.525
Base-Backbone interact. energy: -2.063
local terms energy: -175.885984
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -37.031
flat angles C4'-P-C4' energy: -35.890
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -534.078607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.078607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.078607 (E_RNA)
where:
Base-Base interactions energy: -348.463
where: short stacking energy: -150.346
Base-Backbone interact. energy: -0.573
local terms energy: -185.043095
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -45.719
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: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -499.374069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.374069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.374069 (E_RNA)
where:
Base-Base interactions energy: -345.766
where: short stacking energy: -141.425
Base-Backbone interact. energy: -2.634
local terms energy: -150.974599
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -29.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -430.929510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.929510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.929510 (E_RNA)
where:
Base-Base interactions energy: -269.489
where: short stacking energy: -128.719
Base-Backbone interact. energy: -1.091
local terms energy: -160.657595
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -35.161
flat angles P-C4'-P energy: -24.233
tors. eta vs tors. theta energy: -36.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.308 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -388.734610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.734610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.734610 (E_RNA)
where:
Base-Base interactions energy: -235.935
where: short stacking energy: -116.645
Base-Backbone interact. energy: -1.220
local terms energy: -151.579724
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -26.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -330.724011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.724011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.724011 (E_RNA)
where:
Base-Base interactions energy: -193.525
where: short stacking energy: -91.304
Base-Backbone interact. energy: -1.631
local terms energy: -135.567593
where:
bonds (distance) C4'-P energy: -33.812
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -31.524
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -13.334
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: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -331.156611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.156611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.156611 (E_RNA)
where:
Base-Base interactions energy: -212.620
where: short stacking energy: -92.025
Base-Backbone interact. energy: 0.562
local terms energy: -119.098557
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -33.881
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -8.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -308.675017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.675017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.675017 (E_RNA)
where:
Base-Base interactions energy: -173.772
where: short stacking energy: -85.890
Base-Backbone interact. energy: 0.686
local terms energy: -135.588952
where:
bonds (distance) C4'-P energy: -37.557
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -38.172
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -235.862150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.862150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.862150 (E_RNA)
where:
Base-Base interactions energy: -114.964
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.392
local terms energy: -120.506814
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -38.552
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -7.455
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: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -223.094730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.094730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.094730 (E_RNA)
where:
Base-Base interactions energy: -119.749
where: short stacking energy: -60.850
Base-Backbone interact. energy: -1.445
local terms energy: -101.901113
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -34.420
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -564.059336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.059336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.059336 (E_RNA)
where:
Base-Base interactions energy: -386.776
where: short stacking energy: -148.851
Base-Backbone interact. energy: -1.106
local terms energy: -176.177109
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -40.932
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -38.961
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: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -534.534056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.534056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.534056 (E_RNA)
where:
Base-Base interactions energy: -362.547
where: short stacking energy: -145.446
Base-Backbone interact. energy: -2.153
local terms energy: -169.834227
where:
bonds (distance) C4'-P energy: -37.939
bonds (distance) P-C4' energy: -30.356
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -38.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -509.096090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.096090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.096090 (E_RNA)
where:
Base-Base interactions energy: -357.967
where: short stacking energy: -146.410
Base-Backbone interact. energy: -1.397
local terms energy: -149.731527
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -28.232
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: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -414.583234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.583234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.583234 (E_RNA)
where:
Base-Base interactions energy: -278.739
where: short stacking energy: -111.969
Base-Backbone interact. energy: -0.339
local terms energy: -135.504680
where:
bonds (distance) C4'-P energy: -32.690
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -34.523
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -23.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -402.148838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.148838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.148838 (E_RNA)
where:
Base-Base interactions energy: -245.723
where: short stacking energy: -96.647
Base-Backbone interact. energy: -2.097
local terms energy: -154.328734
where:
bonds (distance) C4'-P energy: -38.797
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -39.196
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -20.115
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: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -365.377430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.377430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.377430 (E_RNA)
where:
Base-Base interactions energy: -231.621
where: short stacking energy: -105.227
Base-Backbone interact. energy: 1.692
local terms energy: -135.448916
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -32.223
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -24.466
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: 89
Temperature: 1.200000
Total energy: -360.527426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.527426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.527426 (E_RNA)
where:
Base-Base interactions energy: -231.708
where: short stacking energy: -119.287
Base-Backbone interact. energy: 0.224
local terms energy: -129.043238
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -27.693
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: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -298.472296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.472296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.472296 (E_RNA)
where:
Base-Base interactions energy: -194.488
where: short stacking energy: -81.892
Base-Backbone interact. energy: 1.486
local terms energy: -105.470260
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -32.019
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -1.673
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: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -234.057857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.057857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.057857 (E_RNA)
where:
Base-Base interactions energy: -131.979
where: short stacking energy: -65.039
Base-Backbone interact. energy: -0.349
local terms energy: -101.730017
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -36.006
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -219.799119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.799119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.799119 (E_RNA)
where:
Base-Base interactions energy: -117.118
where: short stacking energy: -50.917
Base-Backbone interact. energy: -1.181
local terms energy: -101.500842
where:
bonds (distance) C4'-P energy: -30.408
bonds (distance) P-C4' energy: -27.163
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: 1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -560.139607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.139607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.139607 (E_RNA)
where:
Base-Base interactions energy: -381.791
where: short stacking energy: -146.683
Base-Backbone interact. energy: -0.875
local terms energy: -177.473572
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -35.593
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -39.980
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: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -544.202234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.202234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.202234 (E_RNA)
where:
Base-Base interactions energy: -366.485
where: short stacking energy: -145.865
Base-Backbone interact. energy: -3.336
local terms energy: -174.381958
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -39.246
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -43.648
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: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -498.416251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.416251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.416251 (E_RNA)
where:
Base-Base interactions energy: -340.884
where: short stacking energy: -142.515
Base-Backbone interact. energy: -0.605
local terms energy: -157.323828
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -38.149
flat angles C4'-P-C4' energy: -39.451
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -31.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -453.983558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.983558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.983558 (E_RNA)
where:
Base-Base interactions energy: -299.760
where: short stacking energy: -131.388
Base-Backbone interact. energy: -0.826
local terms energy: -153.396892
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -30.092
flat angles P-C4'-P energy: -24.553
tors. eta vs tors. theta energy: -29.851
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: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -371.185982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.185982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.185982 (E_RNA)
where:
Base-Base interactions energy: -235.221
where: short stacking energy: -109.705
Base-Backbone interact. energy: -0.803
local terms energy: -135.161548
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -36.240
flat angles C4'-P-C4' energy: -36.292
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -352.193994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.193994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.193994 (E_RNA)
where:
Base-Base interactions energy: -214.162
where: short stacking energy: -102.332
Base-Backbone interact. energy: 0.227
local terms energy: -138.498255
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -25.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.239 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -373.410682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.410682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.410682 (E_RNA)
where:
Base-Base interactions energy: -229.986
where: short stacking energy: -115.284
Base-Backbone interact. energy: 0.993
local terms energy: -144.417542
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -36.523
flat angles C4'-P-C4' energy: -33.368
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -26.318
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: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -308.759757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.759757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.759757 (E_RNA)
where:
Base-Base interactions energy: -176.833
where: short stacking energy: -80.221
Base-Backbone interact. energy: -0.455
local terms energy: -132.308494
where:
bonds (distance) C4'-P energy: -37.406
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.837 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -217.985181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.985181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.985181 (E_RNA)
where:
Base-Base interactions energy: -113.646
where: short stacking energy: -58.768
Base-Backbone interact. energy: -0.968
local terms energy: -103.371612
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: 2.332
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: 90
Temperature: 1.350000
Total energy: -258.446392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.446392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.446392 (E_RNA)
where:
Base-Base interactions energy: -123.754
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.271
local terms energy: -137.396537
where:
bonds (distance) C4'-P energy: -39.132
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -35.811
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.975 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -533.480073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.480073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.480073 (E_RNA)
where:
Base-Base interactions energy: -361.903
where: short stacking energy: -147.410
Base-Backbone interact. energy: -0.795
local terms energy: -170.782425
where:
bonds (distance) C4'-P energy: -29.806
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -36.573
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -36.599
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: 91
Temperature: 0.950000
Total energy: -540.876876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.876876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.876876 (E_RNA)
where:
Base-Base interactions energy: -371.633
where: short stacking energy: -143.263
Base-Backbone interact. energy: -2.137
local terms energy: -167.106759
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -42.574
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -34.894
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: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -489.985411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.985411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.985411 (E_RNA)
where:
Base-Base interactions energy: -324.988
where: short stacking energy: -137.610
Base-Backbone interact. energy: -1.414
local terms energy: -163.583616
where:
bonds (distance) C4'-P energy: -32.135
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -33.776
flat angles P-C4'-P energy: -30.750
tors. eta vs tors. theta energy: -37.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -442.439648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.439648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.439648 (E_RNA)
where:
Base-Base interactions energy: -282.321
where: short stacking energy: -132.836
Base-Backbone interact. energy: -0.076
local terms energy: -160.043077
where:
bonds (distance) C4'-P energy: -29.638
bonds (distance) P-C4' energy: -39.333
flat angles C4'-P-C4' energy: -35.459
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -34.150
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: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -361.092222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.092222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.092222 (E_RNA)
where:
Base-Base interactions energy: -225.725
where: short stacking energy: -97.284
Base-Backbone interact. energy: -2.047
local terms energy: -133.319963
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -37.425
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -390.404235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.404235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.404235 (E_RNA)
where:
Base-Base interactions energy: -263.941
where: short stacking energy: -110.243
Base-Backbone interact. energy: -0.620
local terms energy: -125.843193
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -26.489
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -22.723
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: 91
Temperature: 1.200000
Total energy: -326.176386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.176386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.176386 (E_RNA)
where:
Base-Base interactions energy: -181.431
where: short stacking energy: -99.157
Base-Backbone interact. energy: -1.487
local terms energy: -143.604909
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -31.630
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.347 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -299.616863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.616863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.616863 (E_RNA)
where:
Base-Base interactions energy: -199.968
where: short stacking energy: -89.722
Base-Backbone interact. energy: -1.317
local terms energy: -98.332617
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -34.561
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -253.864792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.864792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.864792 (E_RNA)
where:
Base-Base interactions energy: -126.737
where: short stacking energy: -65.100
Base-Backbone interact. energy: -1.025
local terms energy: -126.102755
where:
bonds (distance) C4'-P energy: -41.787
bonds (distance) P-C4' energy: -29.016
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -4.384
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: 91
Temperature: 1.350000
Total energy: -225.025617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.025617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.025617 (E_RNA)
where:
Base-Base interactions energy: -125.538
where: short stacking energy: -70.476
Base-Backbone interact. energy: 0.656
local terms energy: -100.143990
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -14.177
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: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -576.995884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.995884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.995884 (E_RNA)
where:
Base-Base interactions energy: -399.738
where: short stacking energy: -148.054
Base-Backbone interact. energy: -0.957
local terms energy: -176.301040
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -40.140
flat angles P-C4'-P energy: -20.933
tors. eta vs tors. theta energy: -43.574
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: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -528.217550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.217550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.217550 (E_RNA)
where:
Base-Base interactions energy: -350.916
where: short stacking energy: -154.855
Base-Backbone interact. energy: 0.067
local terms energy: -177.368592
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -33.428
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -43.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -515.741010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.741010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.741010 (E_RNA)
where:
Base-Base interactions energy: -340.235
where: short stacking energy: -145.899
Base-Backbone interact. energy: -1.360
local terms energy: -174.145482
where:
bonds (distance) C4'-P energy: -34.830
bonds (distance) P-C4' energy: -38.499
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -41.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -454.120493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.120493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.120493 (E_RNA)
where:
Base-Base interactions energy: -291.332
where: short stacking energy: -141.280
Base-Backbone interact. energy: -0.580
local terms energy: -162.208166
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -29.775
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -404.276396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.276396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.276396 (E_RNA)
where:
Base-Base interactions energy: -262.962
where: short stacking energy: -108.351
Base-Backbone interact. energy: 0.015
local terms energy: -141.329413
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -25.507
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: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -322.785839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.785839 (E_RNA)
where:
Base-Base interactions energy: -183.602
where: short stacking energy: -92.368
Base-Backbone interact. energy: -0.314
local terms energy: -138.869703
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -39.074
flat angles C4'-P-C4' energy: -28.511
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -347.230182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.230182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.230182 (E_RNA)
where:
Base-Base interactions energy: -210.926
where: short stacking energy: -97.756
Base-Backbone interact. energy: -2.116
local terms energy: -134.958849
where:
bonds (distance) C4'-P energy: -35.419
bonds (distance) P-C4' energy: -34.929
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.771 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -318.497388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.497388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.497388 (E_RNA)
where:
Base-Base interactions energy: -198.344
where: short stacking energy: -78.154
Base-Backbone interact. energy: -0.844
local terms energy: -119.308410
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -28.691
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -22.103
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -234.467497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.467497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.467497 (E_RNA)
where:
Base-Base interactions energy: -128.579
where: short stacking energy: -57.551
Base-Backbone interact. energy: -0.762
local terms energy: -105.126105
where:
bonds (distance) C4'-P energy: -37.503
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: 1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -229.475871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.475871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.475871 (E_RNA)
where:
Base-Base interactions energy: -138.593
where: short stacking energy: -80.723
Base-Backbone interact. energy: -1.039
local terms energy: -89.844009
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -567.540682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.540682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.540682 (E_RNA)
where:
Base-Base interactions energy: -380.064
where: short stacking energy: -156.205
Base-Backbone interact. energy: -3.539
local terms energy: -183.937903
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -42.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -532.033316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.033316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.033316 (E_RNA)
where:
Base-Base interactions energy: -349.542
where: short stacking energy: -134.653
Base-Backbone interact. energy: -0.809
local terms energy: -181.682863
where:
bonds (distance) C4'-P energy: -35.145
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -42.836
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -44.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -493.671980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.671980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.671980 (E_RNA)
where:
Base-Base interactions energy: -320.513
where: short stacking energy: -136.700
Base-Backbone interact. energy: 1.222
local terms energy: -174.381341
where:
bonds (distance) C4'-P energy: -36.109
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -41.420
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -35.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -450.614517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.614517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.614517 (E_RNA)
where:
Base-Base interactions energy: -288.678
where: short stacking energy: -137.281
Base-Backbone interact. energy: -0.105
local terms energy: -161.831558
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -40.114
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -21.908
tors. eta vs tors. theta energy: -37.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -422.157525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.157525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.157525 (E_RNA)
where:
Base-Base interactions energy: -259.421
where: short stacking energy: -126.438
Base-Backbone interact. energy: -2.498
local terms energy: -160.238467
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -37.713
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -30.541
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: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -342.924099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.924099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.924099 (E_RNA)
where:
Base-Base interactions energy: -185.046
where: short stacking energy: -94.624
Base-Backbone interact. energy: -1.530
local terms energy: -157.595350
where:
bonds (distance) C4'-P energy: -37.741
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -34.222
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.247 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -309.151620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.151620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.151620 (E_RNA)
where:
Base-Base interactions energy: -187.980
where: short stacking energy: -74.880
Base-Backbone interact. energy: -1.371
local terms energy: -119.800687
where:
bonds (distance) C4'-P energy: -25.866
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -312.400608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.400608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.400608 (E_RNA)
where:
Base-Base interactions energy: -190.258
where: short stacking energy: -82.088
Base-Backbone interact. energy: -0.585
local terms energy: -121.558274
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -36.541
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -10.774
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: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -244.649836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.649836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.649836 (E_RNA)
where:
Base-Base interactions energy: -124.471
where: short stacking energy: -62.635
Base-Backbone interact. energy: -0.955
local terms energy: -119.223813
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -7.192
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: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -183.024717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.024717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.024717 (E_RNA)
where:
Base-Base interactions energy: -74.157
where: short stacking energy: -46.023
Base-Backbone interact. energy: -0.560
local terms energy: -108.307454
where:
bonds (distance) C4'-P energy: -36.573
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: 0.090
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: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -545.117292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.117292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.117292 (E_RNA)
where:
Base-Base interactions energy: -372.716
where: short stacking energy: -146.479
Base-Backbone interact. energy: -2.087
local terms energy: -170.313894
where:
bonds (distance) C4'-P energy: -34.564
bonds (distance) P-C4' energy: -34.567
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: -37.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -539.891617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.891617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.891617 (E_RNA)
where:
Base-Base interactions energy: -374.932
where: short stacking energy: -138.066
Base-Backbone interact. energy: -2.288
local terms energy: -164.537264
where:
bonds (distance) C4'-P energy: -32.980
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -35.145
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.865 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -511.497997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.497997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.497997 (E_RNA)
where:
Base-Base interactions energy: -335.564
where: short stacking energy: -141.060
Base-Backbone interact. energy: -2.190
local terms energy: -173.744079
where:
bonds (distance) C4'-P energy: -31.697
bonds (distance) P-C4' energy: -42.233
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -39.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -473.721815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.721815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.721815 (E_RNA)
where:
Base-Base interactions energy: -307.543
where: short stacking energy: -137.534
Base-Backbone interact. energy: -0.486
local terms energy: -165.692868
where:
bonds (distance) C4'-P energy: -33.154
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -33.942
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -38.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -369.533445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.533445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.533445 (E_RNA)
where:
Base-Base interactions energy: -223.588
where: short stacking energy: -101.240
Base-Backbone interact. energy: -0.644
local terms energy: -145.814404
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -34.165
flat angles C4'-P-C4' energy: -37.249
flat angles P-C4'-P energy: -22.707
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.513 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -398.470109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.470109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.470109 (E_RNA)
where:
Base-Base interactions energy: -251.561
where: short stacking energy: -116.219
Base-Backbone interact. energy: -0.745
local terms energy: -146.164901
where:
bonds (distance) C4'-P energy: -34.483
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -32.396
flat angles P-C4'-P energy: -22.550
tors. eta vs tors. theta energy: -30.852
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: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -346.999404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.999404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.999404 (E_RNA)
where:
Base-Base interactions energy: -206.972
where: short stacking energy: -86.716
Base-Backbone interact. energy: -0.074
local terms energy: -139.952914
where:
bonds (distance) C4'-P energy: -31.610
bonds (distance) P-C4' energy: -37.239
flat angles C4'-P-C4' energy: -37.745
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -247.751873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.751873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.751873 (E_RNA)
where:
Base-Base interactions energy: -120.142
where: short stacking energy: -74.810
Base-Backbone interact. energy: -0.499
local terms energy: -127.110447
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -35.196
flat angles P-C4'-P energy: -16.138
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: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -238.322089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.322089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.322089 (E_RNA)
where:
Base-Base interactions energy: -132.269
where: short stacking energy: -62.262
Base-Backbone interact. energy: -1.025
local terms energy: -105.028399
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -6.179
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: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -173.349644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.349644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.349644 (E_RNA)
where:
Base-Base interactions energy: -67.799
where: short stacking energy: -53.883
Base-Backbone interact. energy: 2.230
local terms energy: -108.967786
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -42.060
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: 3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.188 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -541.042464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.042464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.042464 (E_RNA)
where:
Base-Base interactions energy: -351.351
where: short stacking energy: -149.201
Base-Backbone interact. energy: -0.784
local terms energy: -188.907553
where:
bonds (distance) C4'-P energy: -37.686
bonds (distance) P-C4' energy: -34.782
flat angles C4'-P-C4' energy: -43.858
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -45.351
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: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -551.927370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.927370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.927370 (E_RNA)
where:
Base-Base interactions energy: -379.820
where: short stacking energy: -143.054
Base-Backbone interact. energy: 0.777
local terms energy: -172.884111
where:
bonds (distance) C4'-P energy: -37.191
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -43.607
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -38.637
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: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -532.694388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.694388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.694388 (E_RNA)
where:
Base-Base interactions energy: -367.113
where: short stacking energy: -152.219
Base-Backbone interact. energy: 1.630
local terms energy: -167.211458
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -39.396
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -38.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -471.690791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.690791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.690791 (E_RNA)
where:
Base-Base interactions energy: -317.070
where: short stacking energy: -154.261
Base-Backbone interact. energy: -0.049
local terms energy: -154.571535
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -37.649
flat angles P-C4'-P energy: -24.233
tors. eta vs tors. theta energy: -35.688
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: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -375.661184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.661184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.661184 (E_RNA)
where:
Base-Base interactions energy: -240.752
where: short stacking energy: -95.542
Base-Backbone interact. energy: -1.406
local terms energy: -133.503351
where:
bonds (distance) C4'-P energy: -35.909
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -15.610
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: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -368.576342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.576342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.576342 (E_RNA)
where:
Base-Base interactions energy: -239.688
where: short stacking energy: -98.323
Base-Backbone interact. energy: -0.160
local terms energy: -128.729122
where:
bonds (distance) C4'-P energy: -27.524
bonds (distance) P-C4' energy: -35.193
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -18.382
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: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -317.170355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.170355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.170355 (E_RNA)
where:
Base-Base interactions energy: -195.690
where: short stacking energy: -96.045
Base-Backbone interact. energy: -1.277
local terms energy: -120.203176
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -228.898754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.898754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.898754 (E_RNA)
where:
Base-Base interactions energy: -123.444
where: short stacking energy: -64.226
Base-Backbone interact. energy: -0.630
local terms energy: -104.824756
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -1.489
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: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -161.153003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.153003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.153003 (E_RNA)
where:
Base-Base interactions energy: -52.078
where: short stacking energy: -48.266
Base-Backbone interact. energy: 1.244
local terms energy: -110.318593
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -34.468
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -0.223
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: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -233.829656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.829656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.829656 (E_RNA)
where:
Base-Base interactions energy: -128.754
where: short stacking energy: -80.960
Base-Backbone interact. energy: -0.771
local terms energy: -104.303851
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -567.191628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.191628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.191628 (E_RNA)
where:
Base-Base interactions energy: -404.103
where: short stacking energy: -139.986
Base-Backbone interact. energy: -0.651
local terms energy: -163.782074
where:
bonds (distance) C4'-P energy: -32.181
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -42.872
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: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -529.546486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.546486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.546486 (E_RNA)
where:
Base-Base interactions energy: -365.918
where: short stacking energy: -144.326
Base-Backbone interact. energy: -0.869
local terms energy: -162.759354
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -36.490
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -38.877
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: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -493.681849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.681849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.681849 (E_RNA)
where:
Base-Base interactions energy: -317.481
where: short stacking energy: -143.938
Base-Backbone interact. energy: -0.558
local terms energy: -175.642821
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -31.860
flat angles C4'-P-C4' energy: -39.793
flat angles P-C4'-P energy: -26.780
tors. eta vs tors. theta energy: -45.374
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: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -477.162523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.162523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.162523 (E_RNA)
where:
Base-Base interactions energy: -316.928
where: short stacking energy: -135.008
Base-Backbone interact. energy: 1.092
local terms energy: -161.326353
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -36.031
flat angles C4'-P-C4' energy: -39.914
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -28.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -382.839259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.839259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.839259 (E_RNA)
where:
Base-Base interactions energy: -237.848
where: short stacking energy: -99.170
Base-Backbone interact. energy: 1.234
local terms energy: -146.225158
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -41.282
flat angles C4'-P-C4' energy: -33.778
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -341.602030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.602030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.602030 (E_RNA)
where:
Base-Base interactions energy: -204.281
where: short stacking energy: -94.591
Base-Backbone interact. energy: -1.403
local terms energy: -135.918112
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -19.021
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: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -335.695175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.695175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.695175 (E_RNA)
where:
Base-Base interactions energy: -204.840
where: short stacking energy: -82.244
Base-Backbone interact. energy: -0.744
local terms energy: -130.110490
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -8.449
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: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -239.276238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.276238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.276238 (E_RNA)
where:
Base-Base interactions energy: -126.855
where: short stacking energy: -67.080
Base-Backbone interact. energy: 0.889
local terms energy: -114.412239
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.102 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -228.526142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.526142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.526142 (E_RNA)
where:
Base-Base interactions energy: -119.962
where: short stacking energy: -69.449
Base-Backbone interact. energy: -1.394
local terms energy: -108.238868
where:
bonds (distance) C4'-P energy: -30.294
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -7.286
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: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -167.069311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.069311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.069311 (E_RNA)
where:
Base-Base interactions energy: -54.003
where: short stacking energy: -43.377
Base-Backbone interact. energy: -1.064
local terms energy: -112.002375
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -566.247015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.247015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.247015 (E_RNA)
where:
Base-Base interactions energy: -378.980
where: short stacking energy: -141.076
Base-Backbone interact. energy: -3.146
local terms energy: -184.235684
where:
bonds (distance) C4'-P energy: -36.482
bonds (distance) P-C4' energy: -38.393
flat angles C4'-P-C4' energy: -41.231
flat angles P-C4'-P energy: -28.976
tors. eta vs tors. theta energy: -39.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.115 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -536.324362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.324362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.324362 (E_RNA)
where:
Base-Base interactions energy: -363.170
where: short stacking energy: -149.015
Base-Backbone interact. energy: -1.632
local terms energy: -171.783821
where:
bonds (distance) C4'-P energy: -28.504
bonds (distance) P-C4' energy: -38.060
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.262 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -503.828905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.828905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.828905 (E_RNA)
where:
Base-Base interactions energy: -326.521
where: short stacking energy: -140.476
Base-Backbone interact. energy: -0.424
local terms energy: -176.883689
where:
bonds (distance) C4'-P energy: -39.058
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -39.359
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -41.857
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: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -483.794510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.794510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.794510 (E_RNA)
where:
Base-Base interactions energy: -330.753
where: short stacking energy: -141.132
Base-Backbone interact. energy: -0.494
local terms energy: -152.548201
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -33.792
flat angles C4'-P-C4' energy: -34.891
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -33.683
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: 97
Temperature: 1.100000
Total energy: -340.144632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.144632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.144632 (E_RNA)
where:
Base-Base interactions energy: -209.161
where: short stacking energy: -89.814
Base-Backbone interact. energy: -0.759
local terms energy: -131.196458
where:
bonds (distance) C4'-P energy: -33.579
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.972 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -325.162943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.162943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.162943 (E_RNA)
where:
Base-Base interactions energy: -213.949
where: short stacking energy: -97.722
Base-Backbone interact. energy: 0.270
local terms energy: -111.483538
where:
bonds (distance) C4'-P energy: -32.757
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -13.413
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: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -305.137355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.137355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.137355 (E_RNA)
where:
Base-Base interactions energy: -190.813
where: short stacking energy: -82.380
Base-Backbone interact. energy: 2.648
local terms energy: -116.972444
where:
bonds (distance) C4'-P energy: -30.185
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -260.139513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.139513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.139513 (E_RNA)
where:
Base-Base interactions energy: -131.290
where: short stacking energy: -86.545
Base-Backbone interact. energy: 0.858
local terms energy: -129.707674
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -31.674
flat angles C4'-P-C4' energy: -28.146
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -18.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -232.257169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.257169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.257169 (E_RNA)
where:
Base-Base interactions energy: -128.831
where: short stacking energy: -72.281
Base-Backbone interact. energy: -0.613
local terms energy: -102.813857
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -0.250
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: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -147.828806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.828806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.828806 (E_RNA)
where:
Base-Base interactions energy: -45.535
where: short stacking energy: -44.727
Base-Backbone interact. energy: 0.203
local terms energy: -104.055005
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -22.774
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: 1.558 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -576.634163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.634163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.634163 (E_RNA)
where:
Base-Base interactions energy: -404.745
where: short stacking energy: -154.168
Base-Backbone interact. energy: -1.770
local terms energy: -170.461881
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -33.025
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -27.700
tors. eta vs tors. theta energy: -39.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.342 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -518.851141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.851141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.851141 (E_RNA)
where:
Base-Base interactions energy: -351.018
where: short stacking energy: -139.143
Base-Backbone interact. energy: -2.139
local terms energy: -165.694476
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -35.438
flat angles C4'-P-C4' energy: -38.114
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -41.566
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: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -483.198790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.198790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.198790 (E_RNA)
where:
Base-Base interactions energy: -320.314
where: short stacking energy: -151.903
Base-Backbone interact. energy: 0.223
local terms energy: -163.108112
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -485.534779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.534779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.534779 (E_RNA)
where:
Base-Base interactions energy: -323.572
where: short stacking energy: -138.459
Base-Backbone interact. energy: -2.064
local terms energy: -159.898425
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -37.269
flat angles C4'-P-C4' energy: -34.310
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -32.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -336.404168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.404168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.404168 (E_RNA)
where:
Base-Base interactions energy: -216.858
where: short stacking energy: -92.784
Base-Backbone interact. energy: -0.962
local terms energy: -118.584040
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -31.048
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -14.192
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: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -345.649483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.649483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.649483 (E_RNA)
where:
Base-Base interactions energy: -220.004
where: short stacking energy: -89.621
Base-Backbone interact. energy: -1.374
local terms energy: -125.072271
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -32.802
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.801 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -316.612709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.612709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.612709 (E_RNA)
where:
Base-Base interactions energy: -198.353
where: short stacking energy: -98.574
Base-Backbone interact. energy: -0.081
local terms energy: -118.179034
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -253.184817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.184817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.184817 (E_RNA)
where:
Base-Base interactions energy: -129.970
where: short stacking energy: -77.375
Base-Backbone interact. energy: -0.186
local terms energy: -123.028740
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -220.243549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.243549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.243549 (E_RNA)
where:
Base-Base interactions energy: -124.614
where: short stacking energy: -62.576
Base-Backbone interact. energy: -0.247
local terms energy: -95.381817
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -232.618470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.618470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.618470 (E_RNA)
where:
Base-Base interactions energy: -125.781
where: short stacking energy: -66.571
Base-Backbone interact. energy: 0.373
local terms energy: -107.209915
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -565.717809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.717809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.717809 (E_RNA)
where:
Base-Base interactions energy: -400.224
where: short stacking energy: -151.655
Base-Backbone interact. energy: -1.346
local terms energy: -164.147759
where:
bonds (distance) C4'-P energy: -35.699
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -40.510
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: 99
Temperature: 0.950000
Total energy: -495.071534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.071534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.071534 (E_RNA)
where:
Base-Base interactions energy: -318.759
where: short stacking energy: -160.287
Base-Backbone interact. energy: -0.160
local terms energy: -176.152002
where:
bonds (distance) C4'-P energy: -31.663
bonds (distance) P-C4' energy: -39.786
flat angles C4'-P-C4' energy: -40.944
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -46.952
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -522.131072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.131072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.131072 (E_RNA)
where:
Base-Base interactions energy: -358.768
where: short stacking energy: -140.893
Base-Backbone interact. energy: -1.151
local terms energy: -162.212279
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: -36.274
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: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -494.639234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.639234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.639234 (E_RNA)
where:
Base-Base interactions energy: -333.324
where: short stacking energy: -116.626
Base-Backbone interact. energy: -0.595
local terms energy: -160.720492
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -37.062
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -28.105
tors. eta vs tors. theta energy: -26.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -349.882006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.882006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.882006 (E_RNA)
where:
Base-Base interactions energy: -211.566
where: short stacking energy: -95.672
Base-Backbone interact. energy: -1.014
local terms energy: -137.302167
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -34.158
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -357.670291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.670291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.670291 (E_RNA)
where:
Base-Base interactions energy: -210.438
where: short stacking energy: -109.166
Base-Backbone interact. energy: -0.112
local terms energy: -147.120776
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -24.468
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: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -308.366974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.366974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.366974 (E_RNA)
where:
Base-Base interactions energy: -180.759
where: short stacking energy: -80.972
Base-Backbone interact. energy: 0.997
local terms energy: -128.605030
where:
bonds (distance) C4'-P energy: -30.218
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -29.056
tors. eta vs tors. theta energy: -12.152
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: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -275.680565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.680565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.680565 (E_RNA)
where:
Base-Base interactions energy: -154.181
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.453
local terms energy: -121.046323
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -33.721
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: -6.002
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: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -200.429821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.429821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.429821 (E_RNA)
where:
Base-Base interactions energy: -103.841
where: short stacking energy: -64.927
Base-Backbone interact. energy: -1.039
local terms energy: -95.549616
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -3.741
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: 99
Temperature: 1.350000
Total energy: -226.496154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.496154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.496154 (E_RNA)
where:
Base-Base interactions energy: -126.211
where: short stacking energy: -73.605
Base-Backbone interact. energy: -1.067
local terms energy: -99.218649
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -10.198
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: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -559.528455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.528455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.528455 (E_RNA)
where:
Base-Base interactions energy: -381.363
where: short stacking energy: -145.350
Base-Backbone interact. energy: -0.131
local terms energy: -178.034012
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -41.206
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -37.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -496.633008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.633008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.633008 (E_RNA)
where:
Base-Base interactions energy: -330.126
where: short stacking energy: -162.557
Base-Backbone interact. energy: -0.390
local terms energy: -166.116718
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -36.382
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -42.944
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: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -510.498070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.498070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.498070 (E_RNA)
where:
Base-Base interactions energy: -351.281
where: short stacking energy: -125.765
Base-Backbone interact. energy: -2.479
local terms energy: -156.738192
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -32.804
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: -29.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -496.516576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.516576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.516576 (E_RNA)
where:
Base-Base interactions energy: -332.707
where: short stacking energy: -131.679
Base-Backbone interact. energy: -0.686
local terms energy: -163.123908
where:
bonds (distance) C4'-P energy: -31.979
bonds (distance) P-C4' energy: -34.478
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -41.599
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: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -391.499044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.499044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.499044 (E_RNA)
where:
Base-Base interactions energy: -223.939
where: short stacking energy: -113.158
Base-Backbone interact. energy: -0.673
local terms energy: -167.198766
where:
bonds (distance) C4'-P energy: -34.396
bonds (distance) P-C4' energy: -38.568
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -28.325
tors. eta vs tors. theta energy: -29.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.312 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -337.861622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.861622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.861622 (E_RNA)
where:
Base-Base interactions energy: -200.424
where: short stacking energy: -97.421
Base-Backbone interact. energy: -0.831
local terms energy: -136.606679
where:
bonds (distance) C4'-P energy: -29.047
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -29.667
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -25.048
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -319.528269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.528269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.528269 (E_RNA)
where:
Base-Base interactions energy: -197.479
where: short stacking energy: -101.692
Base-Backbone interact. energy: -0.151
local terms energy: -121.897759
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -12.873
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: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -272.738048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.738048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.738048 (E_RNA)
where:
Base-Base interactions energy: -149.606
where: short stacking energy: -74.475
Base-Backbone interact. energy: -0.405
local terms energy: -122.727311
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -34.125
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -230.271809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.271809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.271809 (E_RNA)
where:
Base-Base interactions energy: -120.819
where: short stacking energy: -60.771
Base-Backbone interact. energy: -1.039
local terms energy: -108.414765
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -32.021
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -165.870633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.870633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.870633 (E_RNA)
where:
Base-Base interactions energy: -72.973
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.335
local terms energy: -92.562993
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: 1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -564.418822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.418822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.418822 (E_RNA)
where:
Base-Base interactions energy: -388.609
where: short stacking energy: -145.003
Base-Backbone interact. energy: -1.564
local terms energy: -174.245561
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -37.327
flat angles C4'-P-C4' energy: -36.156
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -34.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -504.367331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.367331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.367331 (E_RNA)
where:
Base-Base interactions energy: -357.270
where: short stacking energy: -138.428
Base-Backbone interact. energy: -0.451
local terms energy: -146.767352
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -15.886
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: 0.121 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -487.939530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.939530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.939530 (E_RNA)
where:
Base-Base interactions energy: -321.759
where: short stacking energy: -140.156
Base-Backbone interact. energy: -0.293
local terms energy: -165.887032
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -36.533
flat angles P-C4'-P energy: -22.910
tors. eta vs tors. theta energy: -36.751
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: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -477.922423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.922423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.922423 (E_RNA)
where:
Base-Base interactions energy: -315.037
where: short stacking energy: -122.221
Base-Backbone interact. energy: 2.400
local terms energy: -165.285443
where:
bonds (distance) C4'-P energy: -33.504
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -42.740
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -33.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -372.499621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.499621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.499621 (E_RNA)
where:
Base-Base interactions energy: -226.314
where: short stacking energy: -95.198
Base-Backbone interact. energy: -1.652
local terms energy: -144.533871
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -40.033
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -360.438293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.438293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.438293 (E_RNA)
where:
Base-Base interactions energy: -222.115
where: short stacking energy: -106.981
Base-Backbone interact. energy: -0.557
local terms energy: -137.766647
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -313.311262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.311262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.311262 (E_RNA)
where:
Base-Base interactions energy: -195.997
where: short stacking energy: -99.714
Base-Backbone interact. energy: -0.611
local terms energy: -116.704188
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -13.928
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: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -268.276612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.276612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.276612 (E_RNA)
where:
Base-Base interactions energy: -129.563
where: short stacking energy: -78.521
Base-Backbone interact. energy: -0.733
local terms energy: -137.980508
where:
bonds (distance) C4'-P energy: -26.331
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -32.871
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -239.439970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.439970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.439970 (E_RNA)
where:
Base-Base interactions energy: -140.588
where: short stacking energy: -78.435
Base-Backbone interact. energy: -0.267
local terms energy: -98.584620
where:
bonds (distance) C4'-P energy: -25.788
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -33.142
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -164.056957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.056957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.056957 (E_RNA)
where:
Base-Base interactions energy: -67.414
where: short stacking energy: -64.338
Base-Backbone interact. energy: -0.016
local terms energy: -96.627837
where:
bonds (distance) C4'-P energy: -30.727
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: 5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -524.165951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.165951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.165951 (E_RNA)
where:
Base-Base interactions energy: -358.166
where: short stacking energy: -145.863
Base-Backbone interact. energy: -2.932
local terms energy: -163.067320
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -36.668
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -35.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -553.531070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.531070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.531070 (E_RNA)
where:
Base-Base interactions energy: -379.768
where: short stacking energy: -156.988
Base-Backbone interact. energy: -1.569
local terms energy: -172.606779
where:
bonds (distance) C4'-P energy: -36.206
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -42.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.412 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -504.931388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.931388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.931388 (E_RNA)
where:
Base-Base interactions energy: -330.489
where: short stacking energy: -131.491
Base-Backbone interact. energy: -0.395
local terms energy: -174.047656
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -39.078
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -40.391
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: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -480.369294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.369294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.369294 (E_RNA)
where:
Base-Base interactions energy: -315.608
where: short stacking energy: -148.867
Base-Backbone interact. energy: -0.228
local terms energy: -164.533728
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -38.944
flat angles C4'-P-C4' energy: -37.786
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -39.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -384.682774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.682774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.682774 (E_RNA)
where:
Base-Base interactions energy: -235.323
where: short stacking energy: -117.304
Base-Backbone interact. energy: -0.422
local terms energy: -148.938294
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -29.798
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: 102
Temperature: 1.150000
Total energy: -328.342779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.342779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.342779 (E_RNA)
where:
Base-Base interactions energy: -197.362
where: short stacking energy: -101.026
Base-Backbone interact. energy: -0.175
local terms energy: -130.805728
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -325.979301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.979301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.979301 (E_RNA)
where:
Base-Base interactions energy: -212.321
where: short stacking energy: -90.727
Base-Backbone interact. energy: 0.099
local terms energy: -113.757460
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -289.060110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.060110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.060110 (E_RNA)
where:
Base-Base interactions energy: -169.151
where: short stacking energy: -70.294
Base-Backbone interact. energy: -1.495
local terms energy: -118.414726
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -16.335
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: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -296.476232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.476232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.476232 (E_RNA)
where:
Base-Base interactions energy: -172.986
where: short stacking energy: -77.807
Base-Backbone interact. energy: -0.869
local terms energy: -122.621360
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -13.695
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: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -196.437602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.437602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.437602 (E_RNA)
where:
Base-Base interactions energy: -98.882
where: short stacking energy: -52.427
Base-Backbone interact. energy: 1.705
local terms energy: -99.260439
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -34.397
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: 5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -519.101087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.101087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.101087 (E_RNA)
where:
Base-Base interactions energy: -363.674
where: short stacking energy: -135.481
Base-Backbone interact. energy: -1.021
local terms energy: -155.295400
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -39.587
flat angles C4'-P-C4' energy: -31.802
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -28.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.889 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -517.951423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.951423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.951423 (E_RNA)
where:
Base-Base interactions energy: -338.386
where: short stacking energy: -134.984
Base-Backbone interact. energy: 0.968
local terms energy: -180.533183
where:
bonds (distance) C4'-P energy: -42.203
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -34.281
flat angles P-C4'-P energy: -25.369
tors. eta vs tors. theta energy: -41.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -530.631815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.631815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.631815 (E_RNA)
where:
Base-Base interactions energy: -365.789
where: short stacking energy: -139.647
Base-Backbone interact. energy: -0.291
local terms energy: -164.735883
where:
bonds (distance) C4'-P energy: -31.381
bonds (distance) P-C4' energy: -34.887
flat angles C4'-P-C4' energy: -40.524
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -31.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.184 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -486.305643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.305643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.305643 (E_RNA)
where:
Base-Base interactions energy: -324.080
where: short stacking energy: -142.140
Base-Backbone interact. energy: 0.963
local terms energy: -163.188137
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -32.021
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -35.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -384.415437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.415437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.415437 (E_RNA)
where:
Base-Base interactions energy: -230.272
where: short stacking energy: -117.434
Base-Backbone interact. energy: -0.597
local terms energy: -154.003152
where:
bonds (distance) C4'-P energy: -32.467
bonds (distance) P-C4' energy: -39.705
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.456 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -337.638914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.638914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.638914 (E_RNA)
where:
Base-Base interactions energy: -206.587
where: short stacking energy: -94.015
Base-Backbone interact. energy: -3.434
local terms energy: -127.617989
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -33.350
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -15.434
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: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -299.535802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.535802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.535802 (E_RNA)
where:
Base-Base interactions energy: -184.229
where: short stacking energy: -99.146
Base-Backbone interact. energy: -1.096
local terms energy: -114.210264
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -25.690
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -302.897235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.897235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.897235 (E_RNA)
where:
Base-Base interactions energy: -170.213
where: short stacking energy: -82.952
Base-Backbone interact. energy: -0.404
local terms energy: -132.279881
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -28.731
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -19.839
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -304.423788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.423788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.423788 (E_RNA)
where:
Base-Base interactions energy: -177.677
where: short stacking energy: -91.069
Base-Backbone interact. energy: -0.426
local terms energy: -126.321258
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -19.308
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: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -207.717277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.717277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.717277 (E_RNA)
where:
Base-Base interactions energy: -109.224
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.508
local terms energy: -97.985427
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -27.407
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -24.329
tors. eta vs tors. theta energy: 3.504
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: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -540.060810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.060810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.060810 (E_RNA)
where:
Base-Base interactions energy: -359.409
where: short stacking energy: -150.137
Base-Backbone interact. energy: -1.597
local terms energy: -179.055539
where:
bonds (distance) C4'-P energy: -39.426
bonds (distance) P-C4' energy: -35.217
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -26.280
tors. eta vs tors. theta energy: -42.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -493.979762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.979762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.979762 (E_RNA)
where:
Base-Base interactions energy: -326.616
where: short stacking energy: -141.585
Base-Backbone interact. energy: -1.313
local terms energy: -166.050384
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -39.966
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: -32.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -492.176842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.176842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.176842 (E_RNA)
where:
Base-Base interactions energy: -330.870
where: short stacking energy: -152.714
Base-Backbone interact. energy: -0.654
local terms energy: -160.652826
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -36.866
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -41.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -522.901169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.901169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.901169 (E_RNA)
where:
Base-Base interactions energy: -351.062
where: short stacking energy: -134.908
Base-Backbone interact. energy: -2.767
local terms energy: -169.101720
where:
bonds (distance) C4'-P energy: -39.273
bonds (distance) P-C4' energy: -33.814
flat angles C4'-P-C4' energy: -35.786
flat angles P-C4'-P energy: -27.931
tors. eta vs tors. theta energy: -32.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -388.508519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.508519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.508519 (E_RNA)
where:
Base-Base interactions energy: -236.992
where: short stacking energy: -122.916
Base-Backbone interact. energy: -1.293
local terms energy: -150.224208
where:
bonds (distance) C4'-P energy: -34.367
bonds (distance) P-C4' energy: -36.253
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -27.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -358.237087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.237087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.237087 (E_RNA)
where:
Base-Base interactions energy: -217.266
where: short stacking energy: -104.345
Base-Backbone interact. energy: -1.295
local terms energy: -139.675963
where:
bonds (distance) C4'-P energy: -33.879
bonds (distance) P-C4' energy: -28.529
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -21.412
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: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -320.587094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.587094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.587094 (E_RNA)
where:
Base-Base interactions energy: -202.134
where: short stacking energy: -93.081
Base-Backbone interact. energy: -0.822
local terms energy: -117.631501
where:
bonds (distance) C4'-P energy: -33.125
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -19.807
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: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -284.533258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.533258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.533258 (E_RNA)
where:
Base-Base interactions energy: -174.847
where: short stacking energy: -80.841
Base-Backbone interact. energy: -2.126
local terms energy: -107.560238
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -35.196
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -238.318207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.318207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.318207 (E_RNA)
where:
Base-Base interactions energy: -129.286
where: short stacking energy: -59.996
Base-Backbone interact. energy: 1.172
local terms energy: -110.204246
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -36.906
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: 1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -169.184342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.184342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.184342 (E_RNA)
where:
Base-Base interactions energy: -53.450
where: short stacking energy: -45.559
Base-Backbone interact. energy: -1.454
local terms energy: -114.280896
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -1.948
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: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -546.297290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.297290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.297290 (E_RNA)
where:
Base-Base interactions energy: -367.789
where: short stacking energy: -159.344
Base-Backbone interact. energy: -1.468
local terms energy: -177.039858
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -36.856
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -26.083
tors. eta vs tors. theta energy: -42.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -522.488120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.488120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.488120 (E_RNA)
where:
Base-Base interactions energy: -343.338
where: short stacking energy: -166.243
Base-Backbone interact. energy: -0.595
local terms energy: -178.554997
where:
bonds (distance) C4'-P energy: -31.942
bonds (distance) P-C4' energy: -40.775
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -30.947
tors. eta vs tors. theta energy: -41.638
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: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -499.012811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.012811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.012811 (E_RNA)
where:
Base-Base interactions energy: -343.326
where: short stacking energy: -140.119
Base-Backbone interact. energy: -1.129
local terms energy: -154.557597
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -36.939
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -25.044
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: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -521.096241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.096241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.096241 (E_RNA)
where:
Base-Base interactions energy: -367.915
where: short stacking energy: -134.068
Base-Backbone interact. energy: -0.206
local terms energy: -152.975965
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -33.162
flat angles C4'-P-C4' energy: -33.313
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -38.563
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: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -396.730045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.730045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.730045 (E_RNA)
where:
Base-Base interactions energy: -244.306
where: short stacking energy: -113.577
Base-Backbone interact. energy: -0.275
local terms energy: -152.148491
where:
bonds (distance) C4'-P energy: -30.857
bonds (distance) P-C4' energy: -33.762
flat angles C4'-P-C4' energy: -30.136
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -30.193
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: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -371.653018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.653018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.653018 (E_RNA)
where:
Base-Base interactions energy: -219.908
where: short stacking energy: -104.431
Base-Backbone interact. energy: -1.882
local terms energy: -149.862346
where:
bonds (distance) C4'-P energy: -36.478
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -25.623
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: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -346.405603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.405603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.405603 (E_RNA)
where:
Base-Base interactions energy: -201.024
where: short stacking energy: -98.030
Base-Backbone interact. energy: -0.132
local terms energy: -145.249478
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -36.971
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -294.966033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.966033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.966033 (E_RNA)
where:
Base-Base interactions energy: -163.149
where: short stacking energy: -73.640
Base-Backbone interact. energy: -0.688
local terms energy: -131.128831
where:
bonds (distance) C4'-P energy: -34.089
bonds (distance) P-C4' energy: -36.709
flat angles C4'-P-C4' energy: -36.855
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -9.354
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: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -249.083728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.083728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.083728 (E_RNA)
where:
Base-Base interactions energy: -138.937
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.850
local terms energy: -109.297326
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -4.355
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: 105
Temperature: 1.350000
Total energy: -148.349955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.349955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.349955 (E_RNA)
where:
Base-Base interactions energy: -56.601
where: short stacking energy: -44.090
Base-Backbone interact. energy: -0.257
local terms energy: -91.491836
where:
bonds (distance) C4'-P energy: -33.928
bonds (distance) P-C4' energy: -30.415
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: 5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -551.260752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.260752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.260752 (E_RNA)
where:
Base-Base interactions energy: -362.164
where: short stacking energy: -171.456
Base-Backbone interact. energy: -0.907
local terms energy: -188.189620
where:
bonds (distance) C4'-P energy: -37.144
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -39.298
flat angles P-C4'-P energy: -28.309
tors. eta vs tors. theta energy: -49.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -526.286058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.286058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.286058 (E_RNA)
where:
Base-Base interactions energy: -346.325
where: short stacking energy: -148.702
Base-Backbone interact. energy: -1.327
local terms energy: -178.634484
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -38.686
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -46.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -552.627749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.627749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.627749 (E_RNA)
where:
Base-Base interactions energy: -367.927
where: short stacking energy: -135.046
Base-Backbone interact. energy: -0.641
local terms energy: -184.060274
where:
bonds (distance) C4'-P energy: -38.664
bonds (distance) P-C4' energy: -42.925
flat angles C4'-P-C4' energy: -42.084
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -33.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -462.556610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.556610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.556610 (E_RNA)
where:
Base-Base interactions energy: -312.027
where: short stacking energy: -114.424
Base-Backbone interact. energy: 0.548
local terms energy: -151.077378
where:
bonds (distance) C4'-P energy: -36.702
bonds (distance) P-C4' energy: -34.047
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -421.746444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.746444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.746444 (E_RNA)
where:
Base-Base interactions energy: -255.413
where: short stacking energy: -138.642
Base-Backbone interact. energy: -0.265
local terms energy: -166.069202
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -38.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -340.463335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.463335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.463335 (E_RNA)
where:
Base-Base interactions energy: -211.871
where: short stacking energy: -88.164
Base-Backbone interact. energy: -0.679
local terms energy: -128.002044
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -32.646
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.089 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -321.388070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.388070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.388070 (E_RNA)
where:
Base-Base interactions energy: -184.149
where: short stacking energy: -86.137
Base-Backbone interact. energy: -0.691
local terms energy: -136.548556
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -38.573
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -296.215743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.215743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.215743 (E_RNA)
where:
Base-Base interactions energy: -168.872
where: short stacking energy: -73.217
Base-Backbone interact. energy: -1.056
local terms energy: -126.287371
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -14.673
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: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -261.426176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.426176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.426176 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.601
local terms energy: -111.629005
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -27.422
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -148.506844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.506844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.506844 (E_RNA)
where:
Base-Base interactions energy: -43.144
where: short stacking energy: -40.156
Base-Backbone interact. energy: -0.261
local terms energy: -106.247818
where:
bonds (distance) C4'-P energy: -26.546
bonds (distance) P-C4' energy: -36.733
flat angles C4'-P-C4' energy: -24.263
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: 1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.146 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -515.286453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.286453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.286453 (E_RNA)
where:
Base-Base interactions energy: -334.127
where: short stacking energy: -150.739
Base-Backbone interact. energy: -0.113
local terms energy: -182.249856
where:
bonds (distance) C4'-P energy: -38.081
bonds (distance) P-C4' energy: -41.440
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -38.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.203 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -563.063531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.063531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.063531 (E_RNA)
where:
Base-Base interactions energy: -389.311
where: short stacking energy: -146.896
Base-Backbone interact. energy: -0.650
local terms energy: -176.240184
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -42.369
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -38.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.138 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -513.626193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.626193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.626193 (E_RNA)
where:
Base-Base interactions energy: -336.129
where: short stacking energy: -131.088
Base-Backbone interact. energy: -1.520
local terms energy: -175.976795
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -34.605
flat angles C4'-P-C4' energy: -34.853
flat angles P-C4'-P energy: -31.259
tors. eta vs tors. theta energy: -41.871
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: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -449.422351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.422351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.422351 (E_RNA)
where:
Base-Base interactions energy: -309.170
where: short stacking energy: -125.221
Base-Backbone interact. energy: 0.233
local terms energy: -140.484966
where:
bonds (distance) C4'-P energy: -30.062
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -26.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -385.315261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.315261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.315261 (E_RNA)
where:
Base-Base interactions energy: -233.343
where: short stacking energy: -111.753
Base-Backbone interact. energy: -0.426
local terms energy: -151.546044
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -37.049
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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -312.901800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.901800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.901800 (E_RNA)
where:
Base-Base interactions energy: -176.233
where: short stacking energy: -88.144
Base-Backbone interact. energy: -0.835
local terms energy: -135.833933
where:
bonds (distance) C4'-P energy: -30.782
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -377.133705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.133705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.133705 (E_RNA)
where:
Base-Base interactions energy: -254.064
where: short stacking energy: -111.197
Base-Backbone interact. energy: -1.336
local terms energy: -122.993638
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -28.764
flat angles C4'-P-C4' energy: -32.485
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -28.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.260 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -307.338177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.338177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.338177 (E_RNA)
where:
Base-Base interactions energy: -178.598
where: short stacking energy: -88.847
Base-Backbone interact. energy: -0.628
local terms energy: -128.112247
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -24.586
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -247.886452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.886452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.886452 (E_RNA)
where:
Base-Base interactions energy: -124.591
where: short stacking energy: -67.193
Base-Backbone interact. energy: -0.793
local terms energy: -122.502715
where:
bonds (distance) C4'-P energy: -35.221
bonds (distance) P-C4' energy: -29.542
flat angles C4'-P-C4' energy: -27.013
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -15.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -162.260852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.260852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.260852 (E_RNA)
where:
Base-Base interactions energy: -57.825
where: short stacking energy: -49.951
Base-Backbone interact. energy: -0.569
local terms energy: -103.866469
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -3.256
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: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -558.254141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.254141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.254141 (E_RNA)
where:
Base-Base interactions energy: -376.453
where: short stacking energy: -143.903
Base-Backbone interact. energy: -2.460
local terms energy: -179.340441
where:
bonds (distance) C4'-P energy: -38.154
bonds (distance) P-C4' energy: -35.763
flat angles C4'-P-C4' energy: -38.695
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -43.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -506.369295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.369295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.369295 (E_RNA)
where:
Base-Base interactions energy: -338.019
where: short stacking energy: -164.916
Base-Backbone interact. energy: -0.452
local terms energy: -167.897653
where:
bonds (distance) C4'-P energy: -24.467
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -34.364
flat angles P-C4'-P energy: -29.785
tors. eta vs tors. theta energy: -43.906
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: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -502.401449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.401449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.401449 (E_RNA)
where:
Base-Base interactions energy: -339.217
where: short stacking energy: -143.309
Base-Backbone interact. energy: 0.784
local terms energy: -163.968177
where:
bonds (distance) C4'-P energy: -34.145
bonds (distance) P-C4' energy: -32.646
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -41.281
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: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -479.616812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.616812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.616812 (E_RNA)
where:
Base-Base interactions energy: -327.635
where: short stacking energy: -138.919
Base-Backbone interact. energy: 2.592
local terms energy: -154.573482
where:
bonds (distance) C4'-P energy: -32.872
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -30.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -349.548028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.548028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.548028 (E_RNA)
where:
Base-Base interactions energy: -215.182
where: short stacking energy: -91.305
Base-Backbone interact. energy: -0.543
local terms energy: -133.822485
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -33.425
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -340.214017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.214017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.214017 (E_RNA)
where:
Base-Base interactions energy: -194.876
where: short stacking energy: -105.318
Base-Backbone interact. energy: -0.970
local terms energy: -144.367424
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -37.650
flat angles C4'-P-C4' energy: -35.140
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -29.314
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: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -366.974954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.974954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.974954 (E_RNA)
where:
Base-Base interactions energy: -214.574
where: short stacking energy: -97.049
Base-Backbone interact. energy: -0.495
local terms energy: -152.821137
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -33.239
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -27.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.916 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -317.691895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.691895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.691895 (E_RNA)
where:
Base-Base interactions energy: -194.957
where: short stacking energy: -92.536
Base-Backbone interact. energy: 0.149
local terms energy: -123.295014
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -35.105
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -20.817
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.411 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -239.630954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.630954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.630954 (E_RNA)
where:
Base-Base interactions energy: -126.591
where: short stacking energy: -76.861
Base-Backbone interact. energy: -0.959
local terms energy: -112.081164
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -30.259
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -155.683630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.683630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.683630 (E_RNA)
where:
Base-Base interactions energy: -44.468
where: short stacking energy: -41.566
Base-Backbone interact. energy: -0.374
local terms energy: -110.841225
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -36.847
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: 2.256
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: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -560.535785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.535785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.535785 (E_RNA)
where:
Base-Base interactions energy: -387.277
where: short stacking energy: -151.142
Base-Backbone interact. energy: -3.353
local terms energy: -169.905407
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -36.340
flat angles C4'-P-C4' energy: -33.740
flat angles P-C4'-P energy: -29.056
tors. eta vs tors. theta energy: -35.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -515.924864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.924864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.924864 (E_RNA)
where:
Base-Base interactions energy: -344.587
where: short stacking energy: -159.455
Base-Backbone interact. energy: -0.257
local terms energy: -171.080329
where:
bonds (distance) C4'-P energy: -40.209
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -42.915
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: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -485.824986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.824986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.824986 (E_RNA)
where:
Base-Base interactions energy: -311.264
where: short stacking energy: -137.973
Base-Backbone interact. energy: -2.023
local terms energy: -172.537506
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -44.160
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -34.295
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: 109
Temperature: 1.050000
Total energy: -465.834709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.834709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.834709 (E_RNA)
where:
Base-Base interactions energy: -334.378
where: short stacking energy: -143.337
Base-Backbone interact. energy: 1.497
local terms energy: -132.953343
where:
bonds (distance) C4'-P energy: -35.616
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -19.082
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: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -330.616410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.616410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.616410 (E_RNA)
where:
Base-Base interactions energy: -203.770
where: short stacking energy: -94.294
Base-Backbone interact. energy: 0.188
local terms energy: -127.034945
where:
bonds (distance) C4'-P energy: -29.634
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -35.409
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -343.552073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.552073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.552073 (E_RNA)
where:
Base-Base interactions energy: -216.481
where: short stacking energy: -97.512
Base-Backbone interact. energy: -2.690
local terms energy: -124.468767
where:
bonds (distance) C4'-P energy: -31.750
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.088 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -321.784921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.784921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.784921 (E_RNA)
where:
Base-Base interactions energy: -199.963
where: short stacking energy: -88.442
Base-Backbone interact. energy: -1.061
local terms energy: -120.761267
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -315.311986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.311986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.311986 (E_RNA)
where:
Base-Base interactions energy: -179.314
where: short stacking energy: -88.102
Base-Backbone interact. energy: -0.262
local terms energy: -135.736129
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -37.946
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -15.322
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: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -252.949904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.949904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.949904 (E_RNA)
where:
Base-Base interactions energy: -125.931
where: short stacking energy: -71.641
Base-Backbone interact. energy: -0.066
local terms energy: -126.952933
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -151.053128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.053128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.053128 (E_RNA)
where:
Base-Base interactions energy: -47.209
where: short stacking energy: -44.611
Base-Backbone interact. energy: -0.099
local terms energy: -103.750193
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -568.617046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.617046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.617046 (E_RNA)
where:
Base-Base interactions energy: -389.441
where: short stacking energy: -141.084
Base-Backbone interact. energy: -2.857
local terms energy: -176.318527
where:
bonds (distance) C4'-P energy: -31.739
bonds (distance) P-C4' energy: -42.088
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -27.818
tors. eta vs tors. theta energy: -39.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -524.285229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.285229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.285229 (E_RNA)
where:
Base-Base interactions energy: -339.627
where: short stacking energy: -161.756
Base-Backbone interact. energy: -0.613
local terms energy: -184.044715
where:
bonds (distance) C4'-P energy: -28.215
bonds (distance) P-C4' energy: -38.037
flat angles C4'-P-C4' energy: -41.052
flat angles P-C4'-P energy: -32.902
tors. eta vs tors. theta energy: -43.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -500.750583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.750583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.750583 (E_RNA)
where:
Base-Base interactions energy: -331.881
where: short stacking energy: -136.539
Base-Backbone interact. energy: 0.648
local terms energy: -169.517939
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -39.186
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -33.601
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: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -445.291352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.291352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.291352 (E_RNA)
where:
Base-Base interactions energy: -293.285
where: short stacking energy: -115.622
Base-Backbone interact. energy: -0.321
local terms energy: -151.686011
where:
bonds (distance) C4'-P energy: -41.732
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -26.675
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: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -356.713124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.713124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.713124 (E_RNA)
where:
Base-Base interactions energy: -226.413
where: short stacking energy: -92.455
Base-Backbone interact. energy: -0.755
local terms energy: -129.544999
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -34.606
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -323.279344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.279344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.279344 (E_RNA)
where:
Base-Base interactions energy: -194.767
where: short stacking energy: -80.385
Base-Backbone interact. energy: -3.374
local terms energy: -125.138197
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -328.965462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.965462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.965462 (E_RNA)
where:
Base-Base interactions energy: -191.383
where: short stacking energy: -92.319
Base-Backbone interact. energy: -2.070
local terms energy: -135.512329
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -31.621
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -17.623
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: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -294.888193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.888193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.888193 (E_RNA)
where:
Base-Base interactions energy: -171.584
where: short stacking energy: -83.522
Base-Backbone interact. energy: -0.161
local terms energy: -123.143288
where:
bonds (distance) C4'-P energy: -33.964
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -229.856778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.856778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.856778 (E_RNA)
where:
Base-Base interactions energy: -108.908
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.608
local terms energy: -120.340316
where:
bonds (distance) C4'-P energy: -29.853
bonds (distance) P-C4' energy: -36.543
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -156.503100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.503100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.503100 (E_RNA)
where:
Base-Base interactions energy: -51.852
where: short stacking energy: -47.674
Base-Backbone interact. energy: 1.208
local terms energy: -105.859345
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -564.789885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.789885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.789885 (E_RNA)
where:
Base-Base interactions energy: -382.323
where: short stacking energy: -143.678
Base-Backbone interact. energy: -2.796
local terms energy: -179.671245
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -35.743
flat angles C4'-P-C4' energy: -41.394
flat angles P-C4'-P energy: -27.717
tors. eta vs tors. theta energy: -41.520
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: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -492.884455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.884455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.884455 (E_RNA)
where:
Base-Base interactions energy: -323.239
where: short stacking energy: -147.845
Base-Backbone interact. energy: 1.776
local terms energy: -171.421488
where:
bonds (distance) C4'-P energy: -38.237
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -40.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -476.031618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.031618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.031618 (E_RNA)
where:
Base-Base interactions energy: -312.485
where: short stacking energy: -125.314
Base-Backbone interact. energy: -0.751
local terms energy: -162.795062
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -38.000
flat angles C4'-P-C4' energy: -38.457
flat angles P-C4'-P energy: -20.507
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: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -402.250610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.250610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.250610 (E_RNA)
where:
Base-Base interactions energy: -252.275
where: short stacking energy: -128.825
Base-Backbone interact. energy: 0.601
local terms energy: -150.576628
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -32.961
flat angles C4'-P-C4' energy: -39.243
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -30.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -451.387176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.387176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.387176 (E_RNA)
where:
Base-Base interactions energy: -299.156
where: short stacking energy: -126.629
Base-Backbone interact. energy: 0.218
local terms energy: -154.603084
where:
bonds (distance) C4'-P energy: -27.958
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -35.228
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -30.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.154 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -336.228394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.228394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.228394 (E_RNA)
where:
Base-Base interactions energy: -213.955
where: short stacking energy: -95.894
Base-Backbone interact. energy: -0.112
local terms energy: -122.161465
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -340.363311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.363311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.363311 (E_RNA)
where:
Base-Base interactions energy: -213.423
where: short stacking energy: -100.455
Base-Backbone interact. energy: -0.394
local terms energy: -126.546809
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -26.966
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -290.329430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.329430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.329430 (E_RNA)
where:
Base-Base interactions energy: -172.107
where: short stacking energy: -72.394
Base-Backbone interact. energy: -1.094
local terms energy: -117.128720
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -35.243
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -10.638
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -240.450408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.450408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.450408 (E_RNA)
where:
Base-Base interactions energy: -120.185
where: short stacking energy: -60.035
Base-Backbone interact. energy: 0.546
local terms energy: -120.810942
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -149.493717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.493717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.493717 (E_RNA)
where:
Base-Base interactions energy: -46.315
where: short stacking energy: -45.588
Base-Backbone interact. energy: 2.281
local terms energy: -105.459003
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: 3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -569.654783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.654783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.654783 (E_RNA)
where:
Base-Base interactions energy: -395.054
where: short stacking energy: -154.603
Base-Backbone interact. energy: -2.128
local terms energy: -173.164984
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -39.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.692 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -513.806676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.806676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.806676 (E_RNA)
where:
Base-Base interactions energy: -338.964
where: short stacking energy: -158.220
Base-Backbone interact. energy: 0.922
local terms energy: -175.764371
where:
bonds (distance) C4'-P energy: -32.989
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -40.012
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -41.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -484.099581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.099581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.099581 (E_RNA)
where:
Base-Base interactions energy: -315.586
where: short stacking energy: -139.774
Base-Backbone interact. energy: -0.703
local terms energy: -167.810865
where:
bonds (distance) C4'-P energy: -33.570
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -39.159
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -38.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -408.052057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.052057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.052057 (E_RNA)
where:
Base-Base interactions energy: -265.623
where: short stacking energy: -112.424
Base-Backbone interact. energy: -0.611
local terms energy: -141.818793
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -39.321
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -26.457
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: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -444.604310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.604310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.604310 (E_RNA)
where:
Base-Base interactions energy: -292.528
where: short stacking energy: -111.111
Base-Backbone interact. energy: -2.538
local terms energy: -149.538032
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -36.272
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -25.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -330.143176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.143176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.143176 (E_RNA)
where:
Base-Base interactions energy: -201.238
where: short stacking energy: -89.536
Base-Backbone interact. energy: -0.045
local terms energy: -128.860420
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -23.559
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: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -305.452389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.452389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.452389 (E_RNA)
where:
Base-Base interactions energy: -187.300
where: short stacking energy: -81.119
Base-Backbone interact. energy: -0.331
local terms energy: -117.821542
where:
bonds (distance) C4'-P energy: -26.874
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -296.978555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.978555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.978555 (E_RNA)
where:
Base-Base interactions energy: -171.032
where: short stacking energy: -79.656
Base-Backbone interact. energy: -0.331
local terms energy: -125.615632
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -38.389
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -11.555
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: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -229.563095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.563095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.563095 (E_RNA)
where:
Base-Base interactions energy: -119.515
where: short stacking energy: -72.836
Base-Backbone interact. energy: -2.190
local terms energy: -107.857643
where:
bonds (distance) C4'-P energy: -30.852
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -2.738
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: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -160.337291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.337291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.337291 (E_RNA)
where:
Base-Base interactions energy: -56.750
where: short stacking energy: -45.152
Base-Backbone interact. energy: -0.593
local terms energy: -102.994318
where:
bonds (distance) C4'-P energy: -32.242
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: 5.140
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: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -571.006758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.006758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.006758 (E_RNA)
where:
Base-Base interactions energy: -394.140
where: short stacking energy: -141.355
Base-Backbone interact. energy: -2.944
local terms energy: -173.922255
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -36.375
flat angles C4'-P-C4' energy: -41.432
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: -35.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -523.118307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.118307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.118307 (E_RNA)
where:
Base-Base interactions energy: -344.007
where: short stacking energy: -130.620
Base-Backbone interact. energy: -0.441
local terms energy: -178.670599
where:
bonds (distance) C4'-P energy: -38.321
bonds (distance) P-C4' energy: -40.088
flat angles C4'-P-C4' energy: -39.377
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -42.761
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: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -496.219414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.219414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.219414 (E_RNA)
where:
Base-Base interactions energy: -317.780
where: short stacking energy: -150.595
Base-Backbone interact. energy: -0.722
local terms energy: -177.717798
where:
bonds (distance) C4'-P energy: -29.473
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -42.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -468.845789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.845789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.845789 (E_RNA)
where:
Base-Base interactions energy: -306.589
where: short stacking energy: -131.564
Base-Backbone interact. energy: -1.309
local terms energy: -160.947406
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -33.036
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -32.150
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: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -342.593340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.593340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.593340 (E_RNA)
where:
Base-Base interactions energy: -218.451
where: short stacking energy: -86.432
Base-Backbone interact. energy: -0.759
local terms energy: -123.382608
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -12.543
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: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -319.426222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.426222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.426222 (E_RNA)
where:
Base-Base interactions energy: -192.523
where: short stacking energy: -96.861
Base-Backbone interact. energy: 1.693
local terms energy: -128.611782
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -35.370
flat angles C4'-P-C4' energy: -29.929
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.016 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -333.270982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.270982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.270982 (E_RNA)
where:
Base-Base interactions energy: -192.300
where: short stacking energy: -101.154
Base-Backbone interact. energy: 0.745
local terms energy: -141.715998
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -33.663
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -289.439008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.439008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.439008 (E_RNA)
where:
Base-Base interactions energy: -168.124
where: short stacking energy: -78.141
Base-Backbone interact. energy: 0.652
local terms energy: -121.967169
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -38.184
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -247.294888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.294888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.294888 (E_RNA)
where:
Base-Base interactions energy: -153.873
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.652
local terms energy: -92.769297
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -34.025
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -153.290319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.290319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.290319 (E_RNA)
where:
Base-Base interactions energy: -70.053
where: short stacking energy: -57.031
Base-Backbone interact. energy: -1.057
local terms energy: -82.180314
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: 5.002
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: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -566.492890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.492890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.492890 (E_RNA)
where:
Base-Base interactions energy: -376.489
where: short stacking energy: -136.824
Base-Backbone interact. energy: -1.102
local terms energy: -189.015723
where:
bonds (distance) C4'-P energy: -38.664
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -33.447
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: 0.115 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -533.429565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.429565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.429565 (E_RNA)
where:
Base-Base interactions energy: -365.345
where: short stacking energy: -149.644
Base-Backbone interact. energy: -1.563
local terms energy: -166.521930
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -37.790
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -42.813
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: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -500.510553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.510553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.510553 (E_RNA)
where:
Base-Base interactions energy: -321.163
where: short stacking energy: -146.691
Base-Backbone interact. energy: -0.192
local terms energy: -179.155650
where:
bonds (distance) C4'-P energy: -38.980
bonds (distance) P-C4' energy: -35.101
flat angles C4'-P-C4' energy: -38.048
flat angles P-C4'-P energy: -23.990
tors. eta vs tors. theta energy: -43.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -466.369242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.369242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.369242 (E_RNA)
where:
Base-Base interactions energy: -323.758
where: short stacking energy: -137.258
Base-Backbone interact. energy: 2.140
local terms energy: -144.750835
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -38.976
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -27.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -350.064688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.064688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.064688 (E_RNA)
where:
Base-Base interactions energy: -202.256
where: short stacking energy: -88.588
Base-Backbone interact. energy: -0.775
local terms energy: -147.033819
where:
bonds (distance) C4'-P energy: -38.946
bonds (distance) P-C4' energy: -37.900
flat angles C4'-P-C4' energy: -37.209
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -371.926082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.926082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.926082 (E_RNA)
where:
Base-Base interactions energy: -229.360
where: short stacking energy: -101.787
Base-Backbone interact. energy: 0.308
local terms energy: -142.874119
where:
bonds (distance) C4'-P energy: -34.284
bonds (distance) P-C4' energy: -37.989
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -332.943947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.943947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.943947 (E_RNA)
where:
Base-Base interactions energy: -190.512
where: short stacking energy: -87.558
Base-Backbone interact. energy: -0.377
local terms energy: -142.054892
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -34.772
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -317.332555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.332555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.332555 (E_RNA)
where:
Base-Base interactions energy: -205.299
where: short stacking energy: -84.869
Base-Backbone interact. energy: -0.535
local terms energy: -111.498742
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -174.132664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.132664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.132664 (E_RNA)
where:
Base-Base interactions energy: -58.847
where: short stacking energy: -37.967
Base-Backbone interact. energy: -0.552
local terms energy: -114.733965
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -33.114
flat angles C4'-P-C4' energy: -35.207
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: 1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -227.814427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.814427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.814427 (E_RNA)
where:
Base-Base interactions energy: -117.900
where: short stacking energy: -57.284
Base-Backbone interact. energy: 1.165
local terms energy: -111.079624
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -1.541
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: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -572.556968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.556968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.556968 (E_RNA)
where:
Base-Base interactions energy: -389.443
where: short stacking energy: -152.321
Base-Backbone interact. energy: -2.829
local terms energy: -180.285138
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -33.355
flat angles C4'-P-C4' energy: -47.174
flat angles P-C4'-P energy: -28.322
tors. eta vs tors. theta energy: -39.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -533.001005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.001005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.001005 (E_RNA)
where:
Base-Base interactions energy: -361.752
where: short stacking energy: -147.305
Base-Backbone interact. energy: 1.606
local terms energy: -172.854264
where:
bonds (distance) C4'-P energy: -33.175
bonds (distance) P-C4' energy: -44.275
flat angles C4'-P-C4' energy: -35.908
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -43.827
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: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -499.126091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.126091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.126091 (E_RNA)
where:
Base-Base interactions energy: -320.108
where: short stacking energy: -166.026
Base-Backbone interact. energy: 0.387
local terms energy: -179.731059
where:
bonds (distance) C4'-P energy: -35.094
bonds (distance) P-C4' energy: -35.189
flat angles C4'-P-C4' energy: -39.161
flat angles P-C4'-P energy: -28.760
tors. eta vs tors. theta energy: -41.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.326 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -456.208539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.208539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.208539 (E_RNA)
where:
Base-Base interactions energy: -292.306
where: short stacking energy: -134.649
Base-Backbone interact. energy: 1.741
local terms energy: -165.644164
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -39.653
flat angles P-C4'-P energy: -31.196
tors. eta vs tors. theta energy: -33.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -408.695210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.695210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.695210 (E_RNA)
where:
Base-Base interactions energy: -262.165
where: short stacking energy: -114.852
Base-Backbone interact. energy: -0.842
local terms energy: -145.688652
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -39.726
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -28.762
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: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -348.146601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.146601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.146601 (E_RNA)
where:
Base-Base interactions energy: -221.801
where: short stacking energy: -98.994
Base-Backbone interact. energy: -0.802
local terms energy: -125.542935
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -26.321
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -21.480
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: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -353.049139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.049139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.049139 (E_RNA)
where:
Base-Base interactions energy: -215.450
where: short stacking energy: -93.536
Base-Backbone interact. energy: -1.373
local terms energy: -136.225411
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -32.754
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -294.212192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.212192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.212192 (E_RNA)
where:
Base-Base interactions energy: -181.661
where: short stacking energy: -64.636
Base-Backbone interact. energy: -2.480
local terms energy: -110.070895
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -6.010
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: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -169.019228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.019228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.019228 (E_RNA)
where:
Base-Base interactions energy: -64.535
where: short stacking energy: -45.557
Base-Backbone interact. energy: -1.826
local terms energy: -102.658003
where:
bonds (distance) C4'-P energy: -30.333
bonds (distance) P-C4' energy: -36.160
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: 7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -200.775672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.775672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.775672 (E_RNA)
where:
Base-Base interactions energy: -108.829
where: short stacking energy: -51.052
Base-Backbone interact. energy: 3.270
local terms energy: -95.217098
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: 9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -586.936403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.936403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.936403 (E_RNA)
where:
Base-Base interactions energy: -397.249
where: short stacking energy: -146.808
Base-Backbone interact. energy: -0.006
local terms energy: -189.682119
where:
bonds (distance) C4'-P energy: -41.160
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -41.275
flat angles P-C4'-P energy: -24.482
tors. eta vs tors. theta energy: -40.649
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: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -544.627279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.627279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.627279 (E_RNA)
where:
Base-Base interactions energy: -365.542
where: short stacking energy: -156.339
Base-Backbone interact. energy: -0.686
local terms energy: -178.462630
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -38.012
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -26.427
tors. eta vs tors. theta energy: -44.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -491.130057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.130057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.130057 (E_RNA)
where:
Base-Base interactions energy: -322.166
where: short stacking energy: -147.750
Base-Backbone interact. energy: -1.033
local terms energy: -167.931348
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -38.999
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -39.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -439.140156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.140156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.140156 (E_RNA)
where:
Base-Base interactions energy: -271.887
where: short stacking energy: -109.818
Base-Backbone interact. energy: -0.222
local terms energy: -167.031304
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -36.853
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -28.915
tors. eta vs tors. theta energy: -30.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -386.274724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.274724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.274724 (E_RNA)
where:
Base-Base interactions energy: -235.170
where: short stacking energy: -114.889
Base-Backbone interact. energy: -0.427
local terms energy: -150.677646
where:
bonds (distance) C4'-P energy: -27.060
bonds (distance) P-C4' energy: -38.118
flat angles C4'-P-C4' energy: -28.166
flat angles P-C4'-P energy: -24.795
tors. eta vs tors. theta energy: -32.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -353.341148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.341148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.341148 (E_RNA)
where:
Base-Base interactions energy: -201.619
where: short stacking energy: -92.914
Base-Backbone interact. energy: -0.783
local terms energy: -150.938762
where:
bonds (distance) C4'-P energy: -35.356
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -315.145996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.145996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.145996 (E_RNA)
where:
Base-Base interactions energy: -187.755
where: short stacking energy: -90.992
Base-Backbone interact. energy: -0.726
local terms energy: -126.665182
where:
bonds (distance) C4'-P energy: -40.167
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -34.252
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -332.500367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.500367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.500367 (E_RNA)
where:
Base-Base interactions energy: -200.044
where: short stacking energy: -85.743
Base-Backbone interact. energy: -0.549
local terms energy: -131.907012
where:
bonds (distance) C4'-P energy: -31.972
bonds (distance) P-C4' energy: -37.639
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -14.265
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: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -225.845107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.845107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.845107 (E_RNA)
where:
Base-Base interactions energy: -119.311
where: short stacking energy: -76.970
Base-Backbone interact. energy: -1.119
local terms energy: -106.572919
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -32.044
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -17.684
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: 1.158 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -168.731516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.731516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.731516 (E_RNA)
where:
Base-Base interactions energy: -70.647
where: short stacking energy: -39.777
Base-Backbone interact. energy: -0.699
local terms energy: -97.384713
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -23.406
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -565.042713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.042713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.042713 (E_RNA)
where:
Base-Base interactions energy: -385.377
where: short stacking energy: -133.784
Base-Backbone interact. energy: -1.683
local terms energy: -177.982967
where:
bonds (distance) C4'-P energy: -38.348
bonds (distance) P-C4' energy: -35.231
flat angles C4'-P-C4' energy: -38.834
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: -35.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -554.541935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.541935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.541935 (E_RNA)
where:
Base-Base interactions energy: -363.477
where: short stacking energy: -160.651
Base-Backbone interact. energy: -0.868
local terms energy: -190.196792
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -33.898
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -28.690
tors. eta vs tors. theta energy: -50.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -498.956047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.956047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.956047 (E_RNA)
where:
Base-Base interactions energy: -337.879
where: short stacking energy: -147.874
Base-Backbone interact. energy: -1.226
local terms energy: -159.851607
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -41.113
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: 4, replica: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -400.942064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.942064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.942064 (E_RNA)
where:
Base-Base interactions energy: -243.977
where: short stacking energy: -113.883
Base-Backbone interact. energy: -2.168
local terms energy: -154.797618
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -28.222
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: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -438.388930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.388930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.388930 (E_RNA)
where:
Base-Base interactions energy: -295.686
where: short stacking energy: -124.450
Base-Backbone interact. energy: -1.792
local terms energy: -140.911019
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -28.083
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: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -333.359074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.359074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.359074 (E_RNA)
where:
Base-Base interactions energy: -180.438
where: short stacking energy: -92.345
Base-Backbone interact. energy: -0.498
local terms energy: -152.422958
where:
bonds (distance) C4'-P energy: -33.540
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -38.145
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -346.780634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.780634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.780634 (E_RNA)
where:
Base-Base interactions energy: -207.730
where: short stacking energy: -104.911
Base-Backbone interact. energy: -0.342
local terms energy: -138.708448
where:
bonds (distance) C4'-P energy: -36.548
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -34.225
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -346.428460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.428460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.428460 (E_RNA)
where:
Base-Base interactions energy: -214.832
where: short stacking energy: -96.683
Base-Backbone interact. energy: -1.006
local terms energy: -130.590131
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -31.982
flat angles P-C4'-P energy: -17.313
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -219.268788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.268788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.268788 (E_RNA)
where:
Base-Base interactions energy: -111.883
where: short stacking energy: -56.591
Base-Backbone interact. energy: 0.098
local terms energy: -107.483972
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -28.854
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -6.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -161.708815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.708815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.708815 (E_RNA)
where:
Base-Base interactions energy: -53.498
where: short stacking energy: -41.289
Base-Backbone interact. energy: -0.521
local terms energy: -107.690605
where:
bonds (distance) C4'-P energy: -29.865
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -25.727
tors. eta vs tors. theta energy: 3.892
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -577.500418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.500418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.500418 (E_RNA)
where:
Base-Base interactions energy: -397.293
where: short stacking energy: -155.656
Base-Backbone interact. energy: -1.164
local terms energy: -180.486236
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -39.774
flat angles C4'-P-C4' energy: -36.244
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -39.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.444 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -523.328596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.328596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.328596 (E_RNA)
where:
Base-Base interactions energy: -359.466
where: short stacking energy: -157.349
Base-Backbone interact. energy: -1.246
local terms energy: -162.615837
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -39.786
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -42.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -516.416557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.416557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.416557 (E_RNA)
where:
Base-Base interactions energy: -343.536
where: short stacking energy: -151.457
Base-Backbone interact. energy: -0.295
local terms energy: -172.585508
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -34.785
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -425.195004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.195004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.195004 (E_RNA)
where:
Base-Base interactions energy: -266.410
where: short stacking energy: -120.282
Base-Backbone interact. energy: -0.475
local terms energy: -158.309876
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -35.433
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -35.051
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: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -462.628405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.628405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.628405 (E_RNA)
where:
Base-Base interactions energy: -296.725
where: short stacking energy: -139.202
Base-Backbone interact. energy: -0.970
local terms energy: -165.006859
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -39.415
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -34.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.074 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -344.843010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.843010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.843010 (E_RNA)
where:
Base-Base interactions energy: -216.840
where: short stacking energy: -84.022
Base-Backbone interact. energy: -1.219
local terms energy: -126.784911
where:
bonds (distance) C4'-P energy: -27.913
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -361.772195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.772195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.772195 (E_RNA)
where:
Base-Base interactions energy: -221.080
where: short stacking energy: -104.283
Base-Backbone interact. energy: -0.707
local terms energy: -139.984727
where:
bonds (distance) C4'-P energy: -32.486
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -12.050
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: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -310.768613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.768613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.768613 (E_RNA)
where:
Base-Base interactions energy: -176.098
where: short stacking energy: -82.030
Base-Backbone interact. energy: -0.535
local terms energy: -134.135350
where:
bonds (distance) C4'-P energy: -38.814
bonds (distance) P-C4' energy: -31.403
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -13.159
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: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -246.188044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.188044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.188044 (E_RNA)
where:
Base-Base interactions energy: -140.773
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.420
local terms energy: -104.995526
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -10.318
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: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -154.823779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.823779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.823779 (E_RNA)
where:
Base-Base interactions energy: -49.718
where: short stacking energy: -39.397
Base-Backbone interact. energy: -0.900
local terms energy: -104.205300
where:
bonds (distance) C4'-P energy: -33.941
bonds (distance) P-C4' energy: -31.845
flat angles C4'-P-C4' energy: -28.902
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: 3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -571.348070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.348070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.348070 (E_RNA)
where:
Base-Base interactions energy: -396.714
where: short stacking energy: -150.045
Base-Backbone interact. energy: -2.574
local terms energy: -172.059207
where:
bonds (distance) C4'-P energy: -37.791
bonds (distance) P-C4' energy: -37.219
flat angles C4'-P-C4' energy: -35.404
flat angles P-C4'-P energy: -26.830
tors. eta vs tors. theta energy: -34.816
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: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -531.277711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.277711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.277711 (E_RNA)
where:
Base-Base interactions energy: -358.277
where: short stacking energy: -144.363
Base-Backbone interact. energy: -0.906
local terms energy: -172.094006
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -42.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -504.917293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.917293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.917293 (E_RNA)
where:
Base-Base interactions energy: -327.618
where: short stacking energy: -155.239
Base-Backbone interact. energy: 0.101
local terms energy: -177.400328
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -38.518
flat angles P-C4'-P energy: -28.273
tors. eta vs tors. theta energy: -44.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -457.427444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.427444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.427444 (E_RNA)
where:
Base-Base interactions energy: -294.401
where: short stacking energy: -134.210
Base-Backbone interact. energy: 4.827
local terms energy: -167.853737
where:
bonds (distance) C4'-P energy: -32.534
bonds (distance) P-C4' energy: -38.005
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -36.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -393.073369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.073369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.073369 (E_RNA)
where:
Base-Base interactions energy: -249.354
where: short stacking energy: -117.789
Base-Backbone interact. energy: 1.182
local terms energy: -145.061960
where:
bonds (distance) C4'-P energy: -38.420
bonds (distance) P-C4' energy: -36.967
flat angles C4'-P-C4' energy: -28.162
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -371.267009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.267009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.267009 (E_RNA)
where:
Base-Base interactions energy: -237.859
where: short stacking energy: -103.576
Base-Backbone interact. energy: 0.816
local terms energy: -134.277985
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -28.052
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -390.470524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.470524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.470524 (E_RNA)
where:
Base-Base interactions energy: -241.535
where: short stacking energy: -112.289
Base-Backbone interact. energy: -2.514
local terms energy: -146.422213
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -34.124
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -23.736
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -292.024017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.024017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.024017 (E_RNA)
where:
Base-Base interactions energy: -178.234
where: short stacking energy: -72.067
Base-Backbone interact. energy: -1.015
local terms energy: -112.774981
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -31.359
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -236.418400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.418400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.418400 (E_RNA)
where:
Base-Base interactions energy: -113.706
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.657
local terms energy: -122.055838
where:
bonds (distance) C4'-P energy: -33.874
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -159.696646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.696646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.696646 (E_RNA)
where:
Base-Base interactions energy: -66.130
where: short stacking energy: -63.775
Base-Backbone interact. energy: 0.875
local terms energy: -95.040439
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: 4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.598 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -573.355168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.355168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.355168 (E_RNA)
where:
Base-Base interactions energy: -392.279
where: short stacking energy: -158.924
Base-Backbone interact. energy: -1.950
local terms energy: -179.125984
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -40.597
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -41.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -557.693920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.693920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.693920 (E_RNA)
where:
Base-Base interactions energy: -374.737
where: short stacking energy: -155.477
Base-Backbone interact. energy: -0.042
local terms energy: -182.914846
where:
bonds (distance) C4'-P energy: -37.819
bonds (distance) P-C4' energy: -39.756
flat angles C4'-P-C4' energy: -38.046
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -45.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -502.584807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.584807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.584807 (E_RNA)
where:
Base-Base interactions energy: -320.422
where: short stacking energy: -149.924
Base-Backbone interact. energy: -0.452
local terms energy: -181.710694
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -39.013
flat angles P-C4'-P energy: -30.900
tors. eta vs tors. theta energy: -42.160
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: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -441.370299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.370299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.370299 (E_RNA)
where:
Base-Base interactions energy: -286.108
where: short stacking energy: -122.616
Base-Backbone interact. energy: -0.679
local terms energy: -154.637461
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -38.282
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -28.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -399.931950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.931950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.931950 (E_RNA)
where:
Base-Base interactions energy: -252.994
where: short stacking energy: -96.900
Base-Backbone interact. energy: -1.491
local terms energy: -145.446356
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -39.345
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -21.387
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: 120
Temperature: 1.150000
Total energy: -375.564477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.564477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.564477 (E_RNA)
where:
Base-Base interactions energy: -239.904
where: short stacking energy: -117.953
Base-Backbone interact. energy: -1.984
local terms energy: -133.676533
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -30.033
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: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -352.812814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.812814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.812814 (E_RNA)
where:
Base-Base interactions energy: -236.537
where: short stacking energy: -109.558
Base-Backbone interact. energy: -0.521
local terms energy: -115.755099
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -31.458
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -326.948692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.948692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.948692 (E_RNA)
where:
Base-Base interactions energy: -184.858
where: short stacking energy: -85.271
Base-Backbone interact. energy: -0.512
local terms energy: -141.579261
where:
bonds (distance) C4'-P energy: -36.731
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -12.897
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: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -175.529920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.529920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.529920 (E_RNA)
where:
Base-Base interactions energy: -72.823
where: short stacking energy: -59.808
Base-Backbone interact. energy: 0.129
local terms energy: -102.835995
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -31.419
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -232.574698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.574698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.574698 (E_RNA)
where:
Base-Base interactions energy: -119.300
where: short stacking energy: -65.843
Base-Backbone interact. energy: 1.036
local terms energy: -114.311229
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -33.207
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -567.660343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.660343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.660343 (E_RNA)
where:
Base-Base interactions energy: -399.226
where: short stacking energy: -146.881
Base-Backbone interact. energy: -4.927
local terms energy: -163.507416
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -32.811
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -37.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -567.348323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.348323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.348323 (E_RNA)
where:
Base-Base interactions energy: -391.928
where: short stacking energy: -159.286
Base-Backbone interact. energy: -0.225
local terms energy: -175.195553
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -20.711
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: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -503.761797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.761797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.761797 (E_RNA)
where:
Base-Base interactions energy: -321.276
where: short stacking energy: -141.308
Base-Backbone interact. energy: -1.131
local terms energy: -181.354343
where:
bonds (distance) C4'-P energy: -36.930
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -43.663
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -43.240
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: 121
Temperature: 1.050000
Total energy: -386.716600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.716600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.716600 (E_RNA)
where:
Base-Base interactions energy: -248.129
where: short stacking energy: -99.587
Base-Backbone interact. energy: -0.588
local terms energy: -137.999565
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -454.537667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.537667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.537667 (E_RNA)
where:
Base-Base interactions energy: -308.115
where: short stacking energy: -122.613
Base-Backbone interact. energy: 1.774
local terms energy: -148.196628
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -35.404
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -29.411
tors. eta vs tors. theta energy: -28.163
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: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -376.260206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.260206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.260206 (E_RNA)
where:
Base-Base interactions energy: -242.021
where: short stacking energy: -118.076
Base-Backbone interact. energy: 0.501
local terms energy: -135.409939
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -26.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.670 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -307.157079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.157079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.157079 (E_RNA)
where:
Base-Base interactions energy: -185.627
where: short stacking energy: -96.323
Base-Backbone interact. energy: -1.867
local terms energy: -119.662875
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -18.905
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: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -320.121189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.121189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.121189 (E_RNA)
where:
Base-Base interactions energy: -191.987
where: short stacking energy: -102.931
Base-Backbone interact. energy: -0.465
local terms energy: -127.669360
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -173.502368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.502368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.502368 (E_RNA)
where:
Base-Base interactions energy: -57.462
where: short stacking energy: -55.404
Base-Backbone interact. energy: -0.513
local terms energy: -115.527409
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -37.212
flat angles C4'-P-C4' energy: -33.717
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: 2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -217.302386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.302386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.302386 (E_RNA)
where:
Base-Base interactions energy: -118.987
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.080
local terms energy: -98.235769
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -560.722761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.722761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.722761 (E_RNA)
where:
Base-Base interactions energy: -392.564
where: short stacking energy: -140.277
Base-Backbone interact. energy: -1.416
local terms energy: -166.742981
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -40.860
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -39.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -545.122360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.122360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.122360 (E_RNA)
where:
Base-Base interactions energy: -358.916
where: short stacking energy: -157.307
Base-Backbone interact. energy: -1.869
local terms energy: -184.337537
where:
bonds (distance) C4'-P energy: -37.456
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -45.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -533.992595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.992595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.992595 (E_RNA)
where:
Base-Base interactions energy: -353.693
where: short stacking energy: -145.961
Base-Backbone interact. energy: -1.875
local terms energy: -178.425385
where:
bonds (distance) C4'-P energy: -34.442
bonds (distance) P-C4' energy: -38.938
flat angles C4'-P-C4' energy: -40.391
flat angles P-C4'-P energy: -28.198
tors. eta vs tors. theta energy: -36.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -417.690777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.690777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.690777 (E_RNA)
where:
Base-Base interactions energy: -278.320
where: short stacking energy: -112.893
Base-Backbone interact. energy: -0.698
local terms energy: -138.672406
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -26.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -458.553713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.553713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.553713 (E_RNA)
where:
Base-Base interactions energy: -308.604
where: short stacking energy: -109.137
Base-Backbone interact. energy: 2.855
local terms energy: -152.804225
where:
bonds (distance) C4'-P energy: -35.031
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -26.339
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: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -393.840467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.840467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.840467 (E_RNA)
where:
Base-Base interactions energy: -238.077
where: short stacking energy: -112.340
Base-Backbone interact. energy: -1.221
local terms energy: -154.542744
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -37.772
flat angles C4'-P-C4' energy: -32.758
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -25.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -307.016076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.016076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.016076 (E_RNA)
where:
Base-Base interactions energy: -175.600
where: short stacking energy: -87.769
Base-Backbone interact. energy: -1.314
local terms energy: -130.101964
where:
bonds (distance) C4'-P energy: -34.102
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -30.821
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -304.639258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.639258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.639258 (E_RNA)
where:
Base-Base interactions energy: -185.823
where: short stacking energy: -96.297
Base-Backbone interact. energy: -1.119
local terms energy: -117.697070
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -224.483718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.483718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.483718 (E_RNA)
where:
Base-Base interactions energy: -108.166
where: short stacking energy: -67.151
Base-Backbone interact. energy: 0.009
local terms energy: -116.327223
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -168.748271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.748271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.748271 (E_RNA)
where:
Base-Base interactions energy: -71.725
where: short stacking energy: -53.637
Base-Backbone interact. energy: 3.443
local terms energy: -100.466230
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: 4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -572.405607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.405607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.405607 (E_RNA)
where:
Base-Base interactions energy: -398.287
where: short stacking energy: -147.870
Base-Backbone interact. energy: -1.541
local terms energy: -172.577765
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -37.828
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -41.585
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: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -526.998643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.998643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.998643 (E_RNA)
where:
Base-Base interactions energy: -349.906
where: short stacking energy: -135.515
Base-Backbone interact. energy: -0.596
local terms energy: -176.496629
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -35.633
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -45.934
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: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -513.518499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.518499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.518499 (E_RNA)
where:
Base-Base interactions energy: -342.609
where: short stacking energy: -150.262
Base-Backbone interact. energy: 0.971
local terms energy: -171.880268
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -39.311
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: -39.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -476.072525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.072525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.072525 (E_RNA)
where:
Base-Base interactions energy: -309.120
where: short stacking energy: -137.679
Base-Backbone interact. energy: -0.211
local terms energy: -166.741832
where:
bonds (distance) C4'-P energy: -32.456
bonds (distance) P-C4' energy: -36.663
flat angles C4'-P-C4' energy: -40.412
flat angles P-C4'-P energy: -22.337
tors. eta vs tors. theta energy: -34.875
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: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -389.180050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.180050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.180050 (E_RNA)
where:
Base-Base interactions energy: -239.606
where: short stacking energy: -111.721
Base-Backbone interact. energy: -0.633
local terms energy: -148.940896
where:
bonds (distance) C4'-P energy: -32.567
bonds (distance) P-C4' energy: -41.595
flat angles C4'-P-C4' energy: -36.457
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -24.891
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: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -369.467938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.467938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.467938 (E_RNA)
where:
Base-Base interactions energy: -216.981
where: short stacking energy: -103.342
Base-Backbone interact. energy: 0.743
local terms energy: -153.230561
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -28.030
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: 123
Temperature: 1.200000
Total energy: -311.862668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.862668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.862668 (E_RNA)
where:
Base-Base interactions energy: -185.420
where: short stacking energy: -87.695
Base-Backbone interact. energy: 1.628
local terms energy: -128.069812
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -30.936
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -12.128
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: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -248.852657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.852657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.852657 (E_RNA)
where:
Base-Base interactions energy: -125.430
where: short stacking energy: -72.905
Base-Backbone interact. energy: 1.918
local terms energy: -125.340850
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -294.858113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.858113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.858113 (E_RNA)
where:
Base-Base interactions energy: -175.191
where: short stacking energy: -81.891
Base-Backbone interact. energy: 1.011
local terms energy: -120.677649
where:
bonds (distance) C4'-P energy: -30.031
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -161.569556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.569556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.569556 (E_RNA)
where:
Base-Base interactions energy: -68.385
where: short stacking energy: -51.434
Base-Backbone interact. energy: -1.268
local terms energy: -92.547566
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: 3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.631 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -570.049423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.049423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.049423 (E_RNA)
where:
Base-Base interactions energy: -407.884
where: short stacking energy: -156.365
Base-Backbone interact. energy: 0.872
local terms energy: -163.038044
where:
bonds (distance) C4'-P energy: -32.754
bonds (distance) P-C4' energy: -34.179
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -29.043
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -548.817742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.817742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.817742 (E_RNA)
where:
Base-Base interactions energy: -368.178
where: short stacking energy: -151.152
Base-Backbone interact. energy: -0.941
local terms energy: -179.698107
where:
bonds (distance) C4'-P energy: -35.353
bonds (distance) P-C4' energy: -39.982
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -41.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -522.876411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.876411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.876411 (E_RNA)
where:
Base-Base interactions energy: -353.908
where: short stacking energy: -151.453
Base-Backbone interact. energy: -0.260
local terms energy: -168.708340
where:
bonds (distance) C4'-P energy: -36.310
bonds (distance) P-C4' energy: -30.171
flat angles C4'-P-C4' energy: -33.586
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -41.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -458.735160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.735160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.735160 (E_RNA)
where:
Base-Base interactions energy: -306.211
where: short stacking energy: -141.659
Base-Backbone interact. energy: -0.529
local terms energy: -151.994993
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -34.013
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -396.058512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.058512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.058512 (E_RNA)
where:
Base-Base interactions energy: -253.035
where: short stacking energy: -105.447
Base-Backbone interact. energy: -1.426
local terms energy: -141.596980
where:
bonds (distance) C4'-P energy: -28.261
bonds (distance) P-C4' energy: -38.096
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -21.372
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: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -322.131645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.131645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.131645 (E_RNA)
where:
Base-Base interactions energy: -199.736
where: short stacking energy: -113.202
Base-Backbone interact. energy: -2.187
local terms energy: -120.209199
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -34.694
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -333.774726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.774726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.774726 (E_RNA)
where:
Base-Base interactions energy: -208.849
where: short stacking energy: -95.937
Base-Backbone interact. energy: -0.104
local terms energy: -124.821648
where:
bonds (distance) C4'-P energy: -30.828
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -23.527
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -15.851
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: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -231.740575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.740575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.740575 (E_RNA)
where:
Base-Base interactions energy: -115.482
where: short stacking energy: -62.096
Base-Backbone interact. energy: -0.977
local terms energy: -117.907143
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: 2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.626 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -301.415365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.415365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.415365 (E_RNA)
where:
Base-Base interactions energy: -168.686
where: short stacking energy: -66.474
Base-Backbone interact. energy: -0.628
local terms energy: -132.101127
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -35.207
flat angles C4'-P-C4' energy: -36.028
flat angles P-C4'-P energy: -20.589
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: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -168.981442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.981442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.981442 (E_RNA)
where:
Base-Base interactions energy: -73.424
where: short stacking energy: -48.993
Base-Backbone interact. energy: 1.355
local terms energy: -96.912586
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -37.334
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: 2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -583.143952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.143952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.143952 (E_RNA)
where:
Base-Base interactions energy: -406.941
where: short stacking energy: -156.218
Base-Backbone interact. energy: -2.149
local terms energy: -174.053785
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -37.617
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -39.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -536.221560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.221560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.221560 (E_RNA)
where:
Base-Base interactions energy: -370.980
where: short stacking energy: -157.983
Base-Backbone interact. energy: -0.586
local terms energy: -164.655740
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -39.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -519.608680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.608680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.608680 (E_RNA)
where:
Base-Base interactions energy: -353.378
where: short stacking energy: -149.678
Base-Backbone interact. energy: -0.467
local terms energy: -165.763615
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -32.182
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -49.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -476.067921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.067921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.067921 (E_RNA)
where:
Base-Base interactions energy: -329.171
where: short stacking energy: -134.848
Base-Backbone interact. energy: -1.908
local terms energy: -144.988787
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -35.004
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -32.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -402.661451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.661451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.661451 (E_RNA)
where:
Base-Base interactions energy: -271.931
where: short stacking energy: -111.552
Base-Backbone interact. energy: -1.938
local terms energy: -128.791672
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -36.159
flat angles C4'-P-C4' energy: -29.135
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -315.192633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.192633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.192633 (E_RNA)
where:
Base-Base interactions energy: -197.741
where: short stacking energy: -92.349
Base-Backbone interact. energy: -0.319
local terms energy: -117.132766
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -34.620
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -330.786999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.786999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.786999 (E_RNA)
where:
Base-Base interactions energy: -191.970
where: short stacking energy: -103.021
Base-Backbone interact. energy: 1.640
local terms energy: -140.456791
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -36.379
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -19.155
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: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -289.321464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.321464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.321464 (E_RNA)
where:
Base-Base interactions energy: -174.443
where: short stacking energy: -66.340
Base-Backbone interact. energy: -1.244
local terms energy: -113.634601
where:
bonds (distance) C4'-P energy: -30.965
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -224.030515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.030515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.030515 (E_RNA)
where:
Base-Base interactions energy: -121.436
where: short stacking energy: -60.169
Base-Backbone interact. energy: -1.437
local terms energy: -101.157262
where:
bonds (distance) C4'-P energy: -38.108
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: 1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -180.894579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.894579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.894579 (E_RNA)
where:
Base-Base interactions energy: -77.879
where: short stacking energy: -53.885
Base-Backbone interact. energy: 0.746
local terms energy: -105.197873
where:
bonds (distance) C4'-P energy: -25.343
bonds (distance) P-C4' energy: -37.754
flat angles C4'-P-C4' energy: -27.442
flat angles P-C4'-P energy: -15.451
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: 1.436 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -578.159279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.159279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.159279 (E_RNA)
where:
Base-Base interactions energy: -397.507
where: short stacking energy: -147.033
Base-Backbone interact. energy: -0.866
local terms energy: -179.786185
where:
bonds (distance) C4'-P energy: -35.046
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -37.229
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: -41.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -536.502580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.502580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.502580 (E_RNA)
where:
Base-Base interactions energy: -362.778
where: short stacking energy: -145.602
Base-Backbone interact. energy: -0.847
local terms energy: -172.877217
where:
bonds (distance) C4'-P energy: -37.330
bonds (distance) P-C4' energy: -34.283
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -37.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -550.910763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.910763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.910763 (E_RNA)
where:
Base-Base interactions energy: -362.384
where: short stacking energy: -139.912
Base-Backbone interact. energy: 0.114
local terms energy: -188.641049
where:
bonds (distance) C4'-P energy: -35.422
bonds (distance) P-C4' energy: -36.668
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -24.327
tors. eta vs tors. theta energy: -51.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -473.993202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.993202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.993202 (E_RNA)
where:
Base-Base interactions energy: -312.842
where: short stacking energy: -127.596
Base-Backbone interact. energy: -0.712
local terms energy: -160.438624
where:
bonds (distance) C4'-P energy: -34.251
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -28.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -383.151355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.151355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.151355 (E_RNA)
where:
Base-Base interactions energy: -241.949
where: short stacking energy: -102.536
Base-Backbone interact. energy: -0.952
local terms energy: -140.250233
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -37.691
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -311.227073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.227073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.227073 (E_RNA)
where:
Base-Base interactions energy: -174.248
where: short stacking energy: -76.787
Base-Backbone interact. energy: -0.463
local terms energy: -136.515684
where:
bonds (distance) C4'-P energy: -38.460
bonds (distance) P-C4' energy: -37.425
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -11.494
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: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -320.396355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.396355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.396355 (E_RNA)
where:
Base-Base interactions energy: -206.168
where: short stacking energy: -90.214
Base-Backbone interact. energy: -0.968
local terms energy: -113.259655
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -294.346263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.346263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.346263 (E_RNA)
where:
Base-Base interactions energy: -175.273
where: short stacking energy: -80.880
Base-Backbone interact. energy: 0.422
local terms energy: -119.495282
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -238.803958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.803958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.803958 (E_RNA)
where:
Base-Base interactions energy: -126.455
where: short stacking energy: -66.913
Base-Backbone interact. energy: -0.892
local terms energy: -111.456621
where:
bonds (distance) C4'-P energy: -34.250
bonds (distance) P-C4' energy: -40.852
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -162.139184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.139184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.139184 (E_RNA)
where:
Base-Base interactions energy: -51.748
where: short stacking energy: -49.179
Base-Backbone interact. energy: 0.560
local terms energy: -110.951568
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -32.303
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -567.307258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.307258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.307258 (E_RNA)
where:
Base-Base interactions energy: -391.669
where: short stacking energy: -131.536
Base-Backbone interact. energy: -1.130
local terms energy: -174.508581
where:
bonds (distance) C4'-P energy: -31.291
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -38.417
flat angles P-C4'-P energy: -26.531
tors. eta vs tors. theta energy: -39.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -576.150761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.150761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.150761 (E_RNA)
where:
Base-Base interactions energy: -406.099
where: short stacking energy: -166.712
Base-Backbone interact. energy: -0.123
local terms energy: -169.928842
where:
bonds (distance) C4'-P energy: -30.589
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -40.924
flat angles P-C4'-P energy: -23.779
tors. eta vs tors. theta energy: -46.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -530.286936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.286936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.286936 (E_RNA)
where:
Base-Base interactions energy: -358.063
where: short stacking energy: -149.065
Base-Backbone interact. energy: -1.918
local terms energy: -170.306039
where:
bonds (distance) C4'-P energy: -31.828
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -40.092
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -43.050
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: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -480.224144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.224144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.224144 (E_RNA)
where:
Base-Base interactions energy: -313.894
where: short stacking energy: -120.517
Base-Backbone interact. energy: 0.004
local terms energy: -166.333838
where:
bonds (distance) C4'-P energy: -40.038
bonds (distance) P-C4' energy: -32.612
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -33.254
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: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -389.194605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.194605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.194605 (E_RNA)
where:
Base-Base interactions energy: -235.359
where: short stacking energy: -104.112
Base-Backbone interact. energy: -0.035
local terms energy: -153.800901
where:
bonds (distance) C4'-P energy: -39.827
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -25.429
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: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -334.584092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.584092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.584092 (E_RNA)
where:
Base-Base interactions energy: -193.136
where: short stacking energy: -101.509
Base-Backbone interact. energy: 0.817
local terms energy: -142.265286
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -38.477
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -21.071
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: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -297.368490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.368490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.368490 (E_RNA)
where:
Base-Base interactions energy: -172.518
where: short stacking energy: -82.449
Base-Backbone interact. energy: 1.113
local terms energy: -125.963619
where:
bonds (distance) C4'-P energy: -37.104
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -302.901349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.901349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.901349 (E_RNA)
where:
Base-Base interactions energy: -184.024
where: short stacking energy: -77.750
Base-Backbone interact. energy: -1.511
local terms energy: -118.604732
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.238 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -242.208039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.208039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.208039 (E_RNA)
where:
Base-Base interactions energy: -114.563
where: short stacking energy: -58.511
Base-Backbone interact. energy: 1.383
local terms energy: -129.028347
where:
bonds (distance) C4'-P energy: -29.639
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -28.646
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -169.328011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.328011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.328011 (E_RNA)
where:
Base-Base interactions energy: -61.426
where: short stacking energy: -32.149
Base-Backbone interact. energy: -1.067
local terms energy: -106.835612
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: 3.334
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: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -596.217439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.217439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.217439 (E_RNA)
where:
Base-Base interactions energy: -408.615
where: short stacking energy: -171.260
Base-Backbone interact. energy: -0.803
local terms energy: -186.799682
where:
bonds (distance) C4'-P energy: -32.500
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -56.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -559.441734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.441734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.441734 (E_RNA)
where:
Base-Base interactions energy: -392.121
where: short stacking energy: -139.543
Base-Backbone interact. energy: 0.195
local terms energy: -167.516154
where:
bonds (distance) C4'-P energy: -36.955
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -32.719
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: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -530.238388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.238388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.238388 (E_RNA)
where:
Base-Base interactions energy: -356.810
where: short stacking energy: -146.800
Base-Backbone interact. energy: -1.805
local terms energy: -171.623378
where:
bonds (distance) C4'-P energy: -32.648
bonds (distance) P-C4' energy: -34.243
flat angles C4'-P-C4' energy: -40.405
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -38.960
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: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -494.419437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.419437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.419437 (E_RNA)
where:
Base-Base interactions energy: -318.802
where: short stacking energy: -140.227
Base-Backbone interact. energy: -1.352
local terms energy: -174.265989
where:
bonds (distance) C4'-P energy: -38.011
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -36.943
flat angles P-C4'-P energy: -27.900
tors. eta vs tors. theta energy: -36.599
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: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -419.273822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.273822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.273822 (E_RNA)
where:
Base-Base interactions energy: -270.082
where: short stacking energy: -124.130
Base-Backbone interact. energy: -0.188
local terms energy: -149.003676
where:
bonds (distance) C4'-P energy: -32.377
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -359.481851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.481851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.481851 (E_RNA)
where:
Base-Base interactions energy: -213.280
where: short stacking energy: -103.415
Base-Backbone interact. energy: -0.882
local terms energy: -145.319865
where:
bonds (distance) C4'-P energy: -28.212
bonds (distance) P-C4' energy: -39.072
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -28.782
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: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -338.138345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.138345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.138345 (E_RNA)
where:
Base-Base interactions energy: -207.060
where: short stacking energy: -83.548
Base-Backbone interact. energy: -0.398
local terms energy: -130.680213
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -38.657
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -292.803982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.803982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.803982 (E_RNA)
where:
Base-Base interactions energy: -183.078
where: short stacking energy: -78.936
Base-Backbone interact. energy: -1.299
local terms energy: -108.427038
where:
bonds (distance) C4'-P energy: -27.551
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -35.411
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -4.776
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: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -214.945003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.945003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.945003 (E_RNA)
where:
Base-Base interactions energy: -107.168
where: short stacking energy: -63.394
Base-Backbone interact. energy: -1.446
local terms energy: -106.330291
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -28.554
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -230.834090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.834090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.834090 (E_RNA)
where:
Base-Base interactions energy: -115.882
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.915
local terms energy: -114.037235
where:
bonds (distance) C4'-P energy: -33.684
bonds (distance) P-C4' energy: -30.758
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -6.046
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: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -597.632930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.632930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.632930 (E_RNA)
where:
Base-Base interactions energy: -399.286
where: short stacking energy: -171.777
Base-Backbone interact. energy: -0.166
local terms energy: -198.181079
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -38.509
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -54.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -534.877263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.877263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.877263 (E_RNA)
where:
Base-Base interactions energy: -364.450
where: short stacking energy: -165.765
Base-Backbone interact. energy: -1.744
local terms energy: -168.683570
where:
bonds (distance) C4'-P energy: -27.888
bonds (distance) P-C4' energy: -37.672
flat angles C4'-P-C4' energy: -38.328
flat angles P-C4'-P energy: -27.942
tors. eta vs tors. theta energy: -36.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -544.019356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.019356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.019356 (E_RNA)
where:
Base-Base interactions energy: -375.182
where: short stacking energy: -132.869
Base-Backbone interact. energy: -1.656
local terms energy: -167.181249
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -41.720
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -39.803
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: 129
Temperature: 1.050000
Total energy: -441.001617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.001617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.001617 (E_RNA)
where:
Base-Base interactions energy: -273.845
where: short stacking energy: -119.939
Base-Backbone interact. energy: -0.995
local terms energy: -166.162130
where:
bonds (distance) C4'-P energy: -37.120
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -462.228305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.228305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.228305 (E_RNA)
where:
Base-Base interactions energy: -300.551
where: short stacking energy: -128.075
Base-Backbone interact. energy: -0.931
local terms energy: -160.745675
where:
bonds (distance) C4'-P energy: -37.125
bonds (distance) P-C4' energy: -30.122
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -34.742
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: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -344.084813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.084813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.084813 (E_RNA)
where:
Base-Base interactions energy: -213.757
where: short stacking energy: -101.859
Base-Backbone interact. energy: -1.671
local terms energy: -128.657296
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -16.770
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: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -340.339017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.339017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.339017 (E_RNA)
where:
Base-Base interactions energy: -209.084
where: short stacking energy: -89.624
Base-Backbone interact. energy: -0.985
local terms energy: -130.270698
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -35.517
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -295.550948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.550948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.550948 (E_RNA)
where:
Base-Base interactions energy: -173.299
where: short stacking energy: -72.776
Base-Backbone interact. energy: -1.326
local terms energy: -120.925567
where:
bonds (distance) C4'-P energy: -33.129
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -9.704
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: 129
Temperature: 1.300000
Total energy: -223.098010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.098010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.098010 (E_RNA)
where:
Base-Base interactions energy: -114.727
where: short stacking energy: -62.557
Base-Backbone interact. energy: 0.475
local terms energy: -108.845776
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -247.989912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.989912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.989912 (E_RNA)
where:
Base-Base interactions energy: -125.087
where: short stacking energy: -74.777
Base-Backbone interact. energy: -0.438
local terms energy: -122.465241
where:
bonds (distance) C4'-P energy: -32.874
bonds (distance) P-C4' energy: -35.511
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -592.412027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.412027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.412027 (E_RNA)
where:
Base-Base interactions energy: -399.740
where: short stacking energy: -166.585
Base-Backbone interact. energy: -1.729
local terms energy: -190.943418
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -31.827
tors. eta vs tors. theta energy: -49.162
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -530.001747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.001747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.001747 (E_RNA)
where:
Base-Base interactions energy: -357.988
where: short stacking energy: -154.980
Base-Backbone interact. energy: 1.974
local terms energy: -173.987843
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -39.359
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -38.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -546.906875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.906875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.906875 (E_RNA)
where:
Base-Base interactions energy: -367.726
where: short stacking energy: -143.835
Base-Backbone interact. energy: -1.635
local terms energy: -177.546222
where:
bonds (distance) C4'-P energy: -36.064
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -34.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -430.851002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.851002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.851002 (E_RNA)
where:
Base-Base interactions energy: -283.927
where: short stacking energy: -127.407
Base-Backbone interact. energy: -0.413
local terms energy: -146.510694
where:
bonds (distance) C4'-P energy: -34.284
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -374.030197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.030197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.030197 (E_RNA)
where:
Base-Base interactions energy: -221.563
where: short stacking energy: -110.333
Base-Backbone interact. energy: 1.098
local terms energy: -153.565240
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -38.958
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -29.649
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: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -401.452819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.452819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.452819 (E_RNA)
where:
Base-Base interactions energy: -273.205
where: short stacking energy: -108.381
Base-Backbone interact. energy: -0.688
local terms energy: -127.559819
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -40.201
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -20.938
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: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -364.609243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.609243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.609243 (E_RNA)
where:
Base-Base interactions energy: -225.593
where: short stacking energy: -111.119
Base-Backbone interact. energy: 3.855
local terms energy: -142.871317
where:
bonds (distance) C4'-P energy: -38.337
bonds (distance) P-C4' energy: -30.480
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -32.555
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -304.176038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.176038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.176038 (E_RNA)
where:
Base-Base interactions energy: -178.616
where: short stacking energy: -79.274
Base-Backbone interact. energy: 0.304
local terms energy: -126.952338
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -41.431
flat angles C4'-P-C4' energy: -35.824
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.088 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -243.125532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.125532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.125532 (E_RNA)
where:
Base-Base interactions energy: -121.773
where: short stacking energy: -79.091
Base-Backbone interact. energy: 0.658
local terms energy: -122.011034
where:
bonds (distance) C4'-P energy: -26.011
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -11.200
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: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -155.959703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.959703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.959703 (E_RNA)
where:
Base-Base interactions energy: -65.732
where: short stacking energy: -50.171
Base-Backbone interact. energy: -0.588
local terms energy: -89.639230
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -34.002
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: 7.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -595.394084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.394084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.394084 (E_RNA)
where:
Base-Base interactions energy: -404.991
where: short stacking energy: -173.655
Base-Backbone interact. energy: -1.016
local terms energy: -189.387384
where:
bonds (distance) C4'-P energy: -33.066
bonds (distance) P-C4' energy: -35.403
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -26.468
tors. eta vs tors. theta energy: -53.969
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: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -561.300980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.300980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.300980 (E_RNA)
where:
Base-Base interactions energy: -383.069
where: short stacking energy: -148.636
Base-Backbone interact. energy: -1.537
local terms energy: -176.695033
where:
bonds (distance) C4'-P energy: -32.101
bonds (distance) P-C4' energy: -38.774
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -42.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -527.912038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.912038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.912038 (E_RNA)
where:
Base-Base interactions energy: -355.292
where: short stacking energy: -155.677
Base-Backbone interact. energy: 0.136
local terms energy: -172.756149
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -38.258
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -46.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -446.653860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.653860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.653860 (E_RNA)
where:
Base-Base interactions energy: -291.925
where: short stacking energy: -114.195
Base-Backbone interact. energy: -2.441
local terms energy: -152.287900
where:
bonds (distance) C4'-P energy: -30.407
bonds (distance) P-C4' energy: -39.124
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -27.432
tors. eta vs tors. theta energy: -25.208
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: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -414.934412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.934412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.934412 (E_RNA)
where:
Base-Base interactions energy: -270.727
where: short stacking energy: -120.721
Base-Backbone interact. energy: -1.629
local terms energy: -142.578345
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -28.937
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: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -403.867309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.867309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.867309 (E_RNA)
where:
Base-Base interactions energy: -256.514
where: short stacking energy: -105.729
Base-Backbone interact. energy: -0.601
local terms energy: -146.752671
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -31.661
flat angles P-C4'-P energy: -23.839
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: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -320.216949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.216949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.216949 (E_RNA)
where:
Base-Base interactions energy: -195.232
where: short stacking energy: -86.616
Base-Backbone interact. energy: -1.992
local terms energy: -122.992875
where:
bonds (distance) C4'-P energy: -35.782
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -13.749
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: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -310.586815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.586815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.586815 (E_RNA)
where:
Base-Base interactions energy: -174.176
where: short stacking energy: -81.932
Base-Backbone interact. energy: -1.939
local terms energy: -134.471326
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -33.216
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -9.406
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: 131
Temperature: 1.300000
Total energy: -229.177265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.177265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.177265 (E_RNA)
where:
Base-Base interactions energy: -128.416
where: short stacking energy: -62.463
Base-Backbone interact. energy: -2.145
local terms energy: -98.616202
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -29.595
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -149.865593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.865593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.865593 (E_RNA)
where:
Base-Base interactions energy: -52.309
where: short stacking energy: -33.832
Base-Backbone interact. energy: 4.264
local terms energy: -101.821005
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -26.633
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: 7.980
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: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -572.395813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.395813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.395813 (E_RNA)
where:
Base-Base interactions energy: -396.019
where: short stacking energy: -149.879
Base-Backbone interact. energy: -0.307
local terms energy: -176.070642
where:
bonds (distance) C4'-P energy: -36.250
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -38.895
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: -39.054
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: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -567.773512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.773512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.773512 (E_RNA)
where:
Base-Base interactions energy: -367.625
where: short stacking energy: -156.027
Base-Backbone interact. energy: -1.632
local terms energy: -198.516704
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -32.187
flat angles C4'-P-C4' energy: -42.829
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: -56.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -542.639417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.639417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.639417 (E_RNA)
where:
Base-Base interactions energy: -370.559
where: short stacking energy: -155.706
Base-Backbone interact. energy: -1.303
local terms energy: -170.777257
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -35.566
flat angles P-C4'-P energy: -29.346
tors. eta vs tors. theta energy: -42.780
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: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -455.924098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.924098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.924098 (E_RNA)
where:
Base-Base interactions energy: -304.334
where: short stacking energy: -123.803
Base-Backbone interact. energy: 0.130
local terms energy: -151.719653
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -35.892
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -27.671
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: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -432.789363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.789363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.789363 (E_RNA)
where:
Base-Base interactions energy: -275.939
where: short stacking energy: -129.115
Base-Backbone interact. energy: -0.473
local terms energy: -156.377632
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -32.090
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: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -388.847632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.847632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.847632 (E_RNA)
where:
Base-Base interactions energy: -251.666
where: short stacking energy: -115.734
Base-Backbone interact. energy: 1.617
local terms energy: -138.798993
where:
bonds (distance) C4'-P energy: -34.155
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -22.201
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -345.484238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.484238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.484238 (E_RNA)
where:
Base-Base interactions energy: -218.499
where: short stacking energy: -85.889
Base-Backbone interact. energy: -2.335
local terms energy: -124.650599
where:
bonds (distance) C4'-P energy: -32.148
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -17.870
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: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -244.655529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.655529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.655529 (E_RNA)
where:
Base-Base interactions energy: -119.820
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.682
local terms energy: -124.153524
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -30.136
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -14.874
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: 132
Temperature: 1.300000
Total energy: -261.415222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.415222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.415222 (E_RNA)
where:
Base-Base interactions energy: -151.371
where: short stacking energy: -74.275
Base-Backbone interact. energy: -1.903
local terms energy: -108.141321
where:
bonds (distance) C4'-P energy: -31.072
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -12.089
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: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -153.803650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.803650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.803650 (E_RNA)
where:
Base-Base interactions energy: -51.954
where: short stacking energy: -46.216
Base-Backbone interact. energy: -0.504
local terms energy: -101.407060
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: 4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -571.348002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.348002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.348002 (E_RNA)
where:
Base-Base interactions energy: -398.941
where: short stacking energy: -158.448
Base-Backbone interact. energy: 0.638
local terms energy: -173.044787
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -43.758
flat angles C4'-P-C4' energy: -38.415
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -35.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -583.442538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.442538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.442538 (E_RNA)
where:
Base-Base interactions energy: -397.105
where: short stacking energy: -154.111
Base-Backbone interact. energy: -1.367
local terms energy: -184.970169
where:
bonds (distance) C4'-P energy: -34.090
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -39.787
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -54.017
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: 133
Temperature: 1.000000
Total energy: -538.432585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.432585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.432585 (E_RNA)
where:
Base-Base interactions energy: -378.503
where: short stacking energy: -148.587
Base-Backbone interact. energy: 0.043
local terms energy: -159.973220
where:
bonds (distance) C4'-P energy: -35.853
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -37.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -462.646169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.646169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.646169 (E_RNA)
where:
Base-Base interactions energy: -326.454
where: short stacking energy: -113.986
Base-Backbone interact. energy: -2.134
local terms energy: -134.058250
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -35.098
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -391.306182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.306182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.306182 (E_RNA)
where:
Base-Base interactions energy: -245.282
where: short stacking energy: -114.538
Base-Backbone interact. energy: -0.055
local terms energy: -145.968620
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -31.418
flat angles C4'-P-C4' energy: -28.011
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -31.196
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: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -357.768378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.768378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.768378 (E_RNA)
where:
Base-Base interactions energy: -217.055
where: short stacking energy: -99.079
Base-Backbone interact. energy: -0.657
local terms energy: -140.055689
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -37.172
flat angles C4'-P-C4' energy: -35.863
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -21.874
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: 133
Temperature: 1.200000
Total energy: -379.761341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.761341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.761341 (E_RNA)
where:
Base-Base interactions energy: -230.819
where: short stacking energy: -106.688
Base-Backbone interact. energy: -0.850
local terms energy: -148.092169
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -34.910
flat angles C4'-P-C4' energy: -28.564
flat angles P-C4'-P energy: -18.952
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -273.273654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.273654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.273654 (E_RNA)
where:
Base-Base interactions energy: -154.274
where: short stacking energy: -82.844
Base-Backbone interact. energy: -0.756
local terms energy: -118.889072
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -37.102
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.645 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -219.427834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.427834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.427834 (E_RNA)
where:
Base-Base interactions energy: -105.519
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.524
local terms energy: -113.384021
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -11.810
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: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -178.685934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.685934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.685934 (E_RNA)
where:
Base-Base interactions energy: -63.645
where: short stacking energy: -53.452
Base-Backbone interact. energy: -0.462
local terms energy: -114.579039
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -35.103
flat angles C4'-P-C4' energy: -30.801
flat angles P-C4'-P energy: -14.099
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: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -566.079134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.079134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.079134 (E_RNA)
where:
Base-Base interactions energy: -382.133
where: short stacking energy: -146.026
Base-Backbone interact. energy: -1.637
local terms energy: -182.934809
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -42.615
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: -40.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.626 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -570.684333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.684333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.684333 (E_RNA)
where:
Base-Base interactions energy: -382.357
where: short stacking energy: -154.374
Base-Backbone interact. energy: -0.848
local terms energy: -187.479287
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -40.730
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -50.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -523.600209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.600209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.600209 (E_RNA)
where:
Base-Base interactions energy: -359.743
where: short stacking energy: -145.911
Base-Backbone interact. energy: -2.182
local terms energy: -161.675127
where:
bonds (distance) C4'-P energy: -35.599
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -33.797
flat angles P-C4'-P energy: -23.915
tors. eta vs tors. theta energy: -38.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -512.298697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.298697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.298697 (E_RNA)
where:
Base-Base interactions energy: -343.239
where: short stacking energy: -133.854
Base-Backbone interact. energy: -1.094
local terms energy: -167.965751
where:
bonds (distance) C4'-P energy: -38.313
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -33.307
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: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -356.813387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.813387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.813387 (E_RNA)
where:
Base-Base interactions energy: -223.330
where: short stacking energy: -91.539
Base-Backbone interact. energy: -0.997
local terms energy: -132.486197
where:
bonds (distance) C4'-P energy: -32.950
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -33.287
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -11.545
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: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -326.563609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.563609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.563609 (E_RNA)
where:
Base-Base interactions energy: -191.039
where: short stacking energy: -94.027
Base-Backbone interact. energy: 0.693
local terms energy: -136.217330
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -34.695
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -29.191
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -363.778923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.778923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.778923 (E_RNA)
where:
Base-Base interactions energy: -222.090
where: short stacking energy: -115.647
Base-Backbone interact. energy: -0.460
local terms energy: -141.228068
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -23.119
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: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -235.478523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.478523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.478523 (E_RNA)
where:
Base-Base interactions energy: -124.373
where: short stacking energy: -71.932
Base-Backbone interact. energy: -1.102
local terms energy: -110.003009
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -239.309337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.309337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.309337 (E_RNA)
where:
Base-Base interactions energy: -115.483
where: short stacking energy: -55.423
Base-Backbone interact. energy: -1.572
local terms energy: -122.254169
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -36.184
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -169.277485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.277485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.277485 (E_RNA)
where:
Base-Base interactions energy: -62.142
where: short stacking energy: -52.319
Base-Backbone interact. energy: 0.204
local terms energy: -107.339543
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -27.473
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: 5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -576.893867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.893867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.893867 (E_RNA)
where:
Base-Base interactions energy: -394.579
where: short stacking energy: -145.959
Base-Backbone interact. energy: -0.258
local terms energy: -183.176128
where:
bonds (distance) C4'-P energy: -35.484
bonds (distance) P-C4' energy: -39.522
flat angles C4'-P-C4' energy: -40.129
flat angles P-C4'-P energy: -27.291
tors. eta vs tors. theta energy: -40.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.120 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -582.545072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.545072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.545072 (E_RNA)
where:
Base-Base interactions energy: -399.425
where: short stacking energy: -163.077
Base-Backbone interact. energy: -1.872
local terms energy: -181.248528
where:
bonds (distance) C4'-P energy: -39.256
bonds (distance) P-C4' energy: -32.723
flat angles C4'-P-C4' energy: -36.569
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: -47.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -542.386718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.386718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.386718 (E_RNA)
where:
Base-Base interactions energy: -376.829
where: short stacking energy: -160.218
Base-Backbone interact. energy: -0.169
local terms energy: -165.388597
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -35.867
flat angles C4'-P-C4' energy: -34.443
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -45.298
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: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -497.821947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.821947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.821947 (E_RNA)
where:
Base-Base interactions energy: -348.046
where: short stacking energy: -122.321
Base-Backbone interact. energy: -1.055
local terms energy: -148.720500
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -36.676
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: -26.917
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: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -375.248921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.248921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.248921 (E_RNA)
where:
Base-Base interactions energy: -241.986
where: short stacking energy: -115.408
Base-Backbone interact. energy: 1.292
local terms energy: -134.554243
where:
bonds (distance) C4'-P energy: -39.434
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -26.210
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: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -363.990085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.990085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.990085 (E_RNA)
where:
Base-Base interactions energy: -216.441
where: short stacking energy: -104.404
Base-Backbone interact. energy: -0.703
local terms energy: -146.846033
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -36.154
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: -27.355
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: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -305.964231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.964231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.964231 (E_RNA)
where:
Base-Base interactions energy: -190.106
where: short stacking energy: -73.824
Base-Backbone interact. energy: -0.333
local terms energy: -115.524967
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -4.428
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: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -267.823601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.823601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.823601 (E_RNA)
where:
Base-Base interactions energy: -137.015
where: short stacking energy: -75.325
Base-Backbone interact. energy: -1.604
local terms energy: -129.204846
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -15.967
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: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -256.586151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.586151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.586151 (E_RNA)
where:
Base-Base interactions energy: -136.814
where: short stacking energy: -76.296
Base-Backbone interact. energy: -0.298
local terms energy: -119.474691
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -7.574
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: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -163.350447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.350447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.350447 (E_RNA)
where:
Base-Base interactions energy: -63.218
where: short stacking energy: -52.379
Base-Backbone interact. energy: 3.182
local terms energy: -103.314643
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -29.467
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: 1.203
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: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -573.476483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.476483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.476483 (E_RNA)
where:
Base-Base interactions energy: -402.117
where: short stacking energy: -157.724
Base-Backbone interact. energy: 1.081
local terms energy: -173.072078
where:
bonds (distance) C4'-P energy: -35.339
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -35.543
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -43.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.632 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -558.745765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.745765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.745765 (E_RNA)
where:
Base-Base interactions energy: -376.606
where: short stacking energy: -158.687
Base-Backbone interact. energy: -0.461
local terms energy: -181.678527
where:
bonds (distance) C4'-P energy: -35.502
bonds (distance) P-C4' energy: -37.297
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -50.516
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: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -534.251943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.251943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.251943 (E_RNA)
where:
Base-Base interactions energy: -358.313
where: short stacking energy: -149.428
Base-Backbone interact. energy: -0.246
local terms energy: -175.692904
where:
bonds (distance) C4'-P energy: -31.532
bonds (distance) P-C4' energy: -40.380
flat angles C4'-P-C4' energy: -39.049
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -44.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -466.824176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.824176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.824176 (E_RNA)
where:
Base-Base interactions energy: -305.205
where: short stacking energy: -119.437
Base-Backbone interact. energy: 0.410
local terms energy: -162.029215
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -37.628
flat angles C4'-P-C4' energy: -43.412
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -25.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -388.520684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.520684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.520684 (E_RNA)
where:
Base-Base interactions energy: -244.252
where: short stacking energy: -136.150
Base-Backbone interact. energy: 0.496
local terms energy: -144.765041
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -32.988
flat angles C4'-P-C4' energy: -31.081
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -379.181983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.181983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.181983 (E_RNA)
where:
Base-Base interactions energy: -243.856
where: short stacking energy: -93.471
Base-Backbone interact. energy: -1.272
local terms energy: -134.054357
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -39.685
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -325.890789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.890789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.890789 (E_RNA)
where:
Base-Base interactions energy: -211.492
where: short stacking energy: -89.554
Base-Backbone interact. energy: -0.540
local terms energy: -113.859033
where:
bonds (distance) C4'-P energy: -29.706
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -11.517
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: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -250.371290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.371290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.371290 (E_RNA)
where:
Base-Base interactions energy: -122.666
where: short stacking energy: -74.735
Base-Backbone interact. energy: -0.306
local terms energy: -127.399681
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -39.389
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -235.597567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.597567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.597567 (E_RNA)
where:
Base-Base interactions energy: -122.484
where: short stacking energy: -81.850
Base-Backbone interact. energy: 0.076
local terms energy: -113.189392
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -160.567709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.567709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.567709 (E_RNA)
where:
Base-Base interactions energy: -64.195
where: short stacking energy: -47.373
Base-Backbone interact. energy: 1.229
local terms energy: -97.601027
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: 1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -582.856900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.856900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.856900 (E_RNA)
where:
Base-Base interactions energy: -411.816
where: short stacking energy: -144.271
Base-Backbone interact. energy: -3.655
local terms energy: -167.441348
where:
bonds (distance) C4'-P energy: -35.494
bonds (distance) P-C4' energy: -38.319
flat angles C4'-P-C4' energy: -33.598
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -35.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.056 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -562.032299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.032299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.032299 (E_RNA)
where:
Base-Base interactions energy: -376.800
where: short stacking energy: -152.679
Base-Backbone interact. energy: -0.742
local terms energy: -184.933821
where:
bonds (distance) C4'-P energy: -36.204
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -41.854
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -46.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.443 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -520.948254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.948254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.948254 (E_RNA)
where:
Base-Base interactions energy: -349.025
where: short stacking energy: -150.725
Base-Backbone interact. energy: -0.172
local terms energy: -171.751324
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -39.214
flat angles C4'-P-C4' energy: -36.710
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -38.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -408.323761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.323761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.323761 (E_RNA)
where:
Base-Base interactions energy: -235.733
where: short stacking energy: -120.000
Base-Backbone interact. energy: -0.513
local terms energy: -172.077197
where:
bonds (distance) C4'-P energy: -38.749
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -39.544
flat angles P-C4'-P energy: -28.490
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -468.162894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.162894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.162894 (E_RNA)
where:
Base-Base interactions energy: -314.866
where: short stacking energy: -133.593
Base-Backbone interact. energy: -0.733
local terms energy: -152.564335
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -33.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -369.545898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.545898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.545898 (E_RNA)
where:
Base-Base interactions energy: -233.356
where: short stacking energy: -92.205
Base-Backbone interact. energy: -0.868
local terms energy: -135.321644
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -13.561
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: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -330.364058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.364058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.364058 (E_RNA)
where:
Base-Base interactions energy: -204.541
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.722
local terms energy: -125.101463
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -12.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -225.646886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.646886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.646886 (E_RNA)
where:
Base-Base interactions energy: -114.344
where: short stacking energy: -59.392
Base-Backbone interact. energy: -0.714
local terms energy: -110.589803
where:
bonds (distance) C4'-P energy: -33.869
bonds (distance) P-C4' energy: -30.864
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -6.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -225.751113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.751113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.751113 (E_RNA)
where:
Base-Base interactions energy: -108.984
where: short stacking energy: -65.806
Base-Backbone interact. energy: 1.298
local terms energy: -118.064849
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -30.863
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -5.764
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: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -157.321599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.321599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.321599 (E_RNA)
where:
Base-Base interactions energy: -55.896
where: short stacking energy: -38.500
Base-Backbone interact. energy: -0.997
local terms energy: -100.429332
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -38.504
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: 3.572
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: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -570.844188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.844188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.844188 (E_RNA)
where:
Base-Base interactions energy: -393.000
where: short stacking energy: -169.167
Base-Backbone interact. energy: -0.683
local terms energy: -177.766828
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -37.609
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -48.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.605 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -573.246041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.246041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.246041 (E_RNA)
where:
Base-Base interactions energy: -405.272
where: short stacking energy: -154.335
Base-Backbone interact. energy: -2.667
local terms energy: -165.625929
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -42.143
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -38.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.319 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -542.990178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.990178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.990178 (E_RNA)
where:
Base-Base interactions energy: -362.082
where: short stacking energy: -161.318
Base-Backbone interact. energy: 2.323
local terms energy: -183.231474
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -36.357
flat angles C4'-P-C4' energy: -41.161
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -45.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -412.188089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.188089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.188089 (E_RNA)
where:
Base-Base interactions energy: -252.657
where: short stacking energy: -120.331
Base-Backbone interact. energy: -0.896
local terms energy: -158.634838
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -36.429
flat angles C4'-P-C4' energy: -37.362
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -26.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -471.950825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.950825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.950825 (E_RNA)
where:
Base-Base interactions energy: -306.120
where: short stacking energy: -123.875
Base-Backbone interact. energy: 5.264
local terms energy: -171.094392
where:
bonds (distance) C4'-P energy: -39.546
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -33.628
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: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -372.890975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.890975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.890975 (E_RNA)
where:
Base-Base interactions energy: -235.421
where: short stacking energy: -102.424
Base-Backbone interact. energy: -0.961
local terms energy: -136.509246
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -29.626
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: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -331.879443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.879443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.879443 (E_RNA)
where:
Base-Base interactions energy: -203.467
where: short stacking energy: -88.035
Base-Backbone interact. energy: -0.913
local terms energy: -127.499589
where:
bonds (distance) C4'-P energy: -28.883
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -12.715
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: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -239.793598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.793598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.793598 (E_RNA)
where:
Base-Base interactions energy: -122.388
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.267
local terms energy: -117.138364
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -39.631
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -11.833
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: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -194.370389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.370389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.370389 (E_RNA)
where:
Base-Base interactions energy: -80.851
where: short stacking energy: -39.201
Base-Backbone interact. energy: 0.129
local terms energy: -113.648730
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -21.992
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: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -160.330710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.330710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.330710 (E_RNA)
where:
Base-Base interactions energy: -61.799
where: short stacking energy: -51.449
Base-Backbone interact. energy: -1.031
local terms energy: -97.500430
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -572.208745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.208745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.208745 (E_RNA)
where:
Base-Base interactions energy: -381.413
where: short stacking energy: -164.165
Base-Backbone interact. energy: -0.677
local terms energy: -190.118567
where:
bonds (distance) C4'-P energy: -33.846
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -37.602
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -51.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -529.289113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.289113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.289113 (E_RNA)
where:
Base-Base interactions energy: -351.881
where: short stacking energy: -159.358
Base-Backbone interact. energy: -0.365
local terms energy: -177.043383
where:
bonds (distance) C4'-P energy: -35.841
bonds (distance) P-C4' energy: -40.551
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -40.080
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: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -547.217544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.217544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.217544 (E_RNA)
where:
Base-Base interactions energy: -380.567
where: short stacking energy: -142.058
Base-Backbone interact. energy: -1.697
local terms energy: -165.006122
where:
bonds (distance) C4'-P energy: -35.921
bonds (distance) P-C4' energy: -36.009
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -37.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.052 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -447.377879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.377879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.377879 (E_RNA)
where:
Base-Base interactions energy: -295.150
where: short stacking energy: -107.881
Base-Backbone interact. energy: -1.137
local terms energy: -151.091225
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -28.264
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -25.111
tors. eta vs tors. theta energy: -24.141
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: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -400.542883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.542883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.542883 (E_RNA)
where:
Base-Base interactions energy: -256.148
where: short stacking energy: -135.046
Base-Backbone interact. energy: -0.486
local terms energy: -143.908662
where:
bonds (distance) C4'-P energy: -27.469
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -33.921
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -31.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -345.707540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.707540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.707540 (E_RNA)
where:
Base-Base interactions energy: -210.901
where: short stacking energy: -98.078
Base-Backbone interact. energy: -0.393
local terms energy: -134.413734
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -35.333
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -313.297093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.297093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.297093 (E_RNA)
where:
Base-Base interactions energy: -180.193
where: short stacking energy: -86.907
Base-Backbone interact. energy: -0.070
local terms energy: -133.035003
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -30.901
flat angles C4'-P-C4' energy: -35.430
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: -16.293
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: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -227.177650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.177650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.177650 (E_RNA)
where:
Base-Base interactions energy: -114.001
where: short stacking energy: -63.769
Base-Backbone interact. energy: 2.167
local terms energy: -115.343440
where:
bonds (distance) C4'-P energy: -33.117
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -1.207
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: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -163.707626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.707626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.707626 (E_RNA)
where:
Base-Base interactions energy: -73.249
where: short stacking energy: -56.716
Base-Backbone interact. energy: -0.214
local terms energy: -90.244562
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: 5.441
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -154.384244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.384244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.384244 (E_RNA)
where:
Base-Base interactions energy: -54.409
where: short stacking energy: -52.298
Base-Backbone interact. energy: -0.199
local terms energy: -100.251643
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -38.251
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -19.113
tors. eta vs tors. theta energy: 2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.476 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -556.030008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.030008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.030008 (E_RNA)
where:
Base-Base interactions energy: -372.143
where: short stacking energy: -149.279
Base-Backbone interact. energy: -1.428
local terms energy: -182.458758
where:
bonds (distance) C4'-P energy: -36.761
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -36.536
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -43.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -528.821469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.821469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.821469 (E_RNA)
where:
Base-Base interactions energy: -353.256
where: short stacking energy: -158.684
Base-Backbone interact. energy: 1.502
local terms energy: -177.067624
where:
bonds (distance) C4'-P energy: -33.524
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -30.230
tors. eta vs tors. theta energy: -47.391
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: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -570.361310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.361310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.361310 (E_RNA)
where:
Base-Base interactions energy: -397.876
where: short stacking energy: -148.307
Base-Backbone interact. energy: -2.696
local terms energy: -169.789054
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -35.714
flat angles C4'-P-C4' energy: -35.423
flat angles P-C4'-P energy: -29.618
tors. eta vs tors. theta energy: -42.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -481.203591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.203591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.203591 (E_RNA)
where:
Base-Base interactions energy: -312.049
where: short stacking energy: -134.608
Base-Backbone interact. energy: -0.245
local terms energy: -168.909453
where:
bonds (distance) C4'-P energy: -36.917
bonds (distance) P-C4' energy: -33.111
flat angles C4'-P-C4' energy: -36.674
flat angles P-C4'-P energy: -27.668
tors. eta vs tors. theta energy: -34.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -398.341039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.341039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.341039 (E_RNA)
where:
Base-Base interactions energy: -240.048
where: short stacking energy: -124.435
Base-Backbone interact. energy: -0.676
local terms energy: -157.616996
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -28.071
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: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -363.549877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.549877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.549877 (E_RNA)
where:
Base-Base interactions energy: -229.768
where: short stacking energy: -102.981
Base-Backbone interact. energy: -0.604
local terms energy: -133.177570
where:
bonds (distance) C4'-P energy: -31.067
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -264.733628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.733628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.733628 (E_RNA)
where:
Base-Base interactions energy: -144.602
where: short stacking energy: -77.244
Base-Backbone interact. energy: 0.652
local terms energy: -120.782962
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -34.236
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -314.054561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.054561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.054561 (E_RNA)
where:
Base-Base interactions energy: -200.455
where: short stacking energy: -81.584
Base-Backbone interact. energy: -1.254
local terms energy: -112.345910
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -31.089
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -7.669
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: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -184.770057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.770057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.770057 (E_RNA)
where:
Base-Base interactions energy: -76.781
where: short stacking energy: -60.630
Base-Backbone interact. energy: 0.770
local terms energy: -108.759215
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: 0.318
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -156.086613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.086613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.086613 (E_RNA)
where:
Base-Base interactions energy: -59.377
where: short stacking energy: -46.496
Base-Backbone interact. energy: 0.977
local terms energy: -97.686467
where:
bonds (distance) C4'-P energy: -37.369
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -33.098
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -569.494452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.494452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.494452 (E_RNA)
where:
Base-Base interactions energy: -381.596
where: short stacking energy: -153.892
Base-Backbone interact. energy: -1.984
local terms energy: -185.914681
where:
bonds (distance) C4'-P energy: -34.202
bonds (distance) P-C4' energy: -42.772
flat angles C4'-P-C4' energy: -35.782
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: -46.100
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: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -565.613895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.613895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.613895 (E_RNA)
where:
Base-Base interactions energy: -390.282
where: short stacking energy: -140.062
Base-Backbone interact. energy: -0.390
local terms energy: -174.941643
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -30.677
tors. eta vs tors. theta energy: -38.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -524.158431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.158431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.158431 (E_RNA)
where:
Base-Base interactions energy: -357.369
where: short stacking energy: -142.437
Base-Backbone interact. energy: -0.716
local terms energy: -166.072962
where:
bonds (distance) C4'-P energy: -34.322
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -37.051
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -37.837
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: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -451.759579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.759579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.759579 (E_RNA)
where:
Base-Base interactions energy: -295.274
where: short stacking energy: -129.332
Base-Backbone interact. energy: 0.660
local terms energy: -157.145764
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -40.331
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -33.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -412.395982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.395982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.395982 (E_RNA)
where:
Base-Base interactions energy: -249.401
where: short stacking energy: -124.785
Base-Backbone interact. energy: -0.316
local terms energy: -162.678557
where:
bonds (distance) C4'-P energy: -35.207
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -32.445
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -32.060
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: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -331.010466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.010466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.010466 (E_RNA)
where:
Base-Base interactions energy: -195.526
where: short stacking energy: -91.968
Base-Backbone interact. energy: 0.107
local terms energy: -135.591117
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -287.941193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.941193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.941193 (E_RNA)
where:
Base-Base interactions energy: -163.926
where: short stacking energy: -69.433
Base-Backbone interact. energy: -0.317
local terms energy: -123.699012
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -319.376615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.376615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.376615 (E_RNA)
where:
Base-Base interactions energy: -194.408
where: short stacking energy: -101.311
Base-Backbone interact. energy: -0.173
local terms energy: -124.795890
where:
bonds (distance) C4'-P energy: -34.062
bonds (distance) P-C4' energy: -30.179
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -19.542
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: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -178.678384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.678384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.678384 (E_RNA)
where:
Base-Base interactions energy: -79.029
where: short stacking energy: -62.712
Base-Backbone interact. energy: 1.313
local terms energy: -100.962226
where:
bonds (distance) C4'-P energy: -33.745
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: 2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -160.964816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.964816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.964816 (E_RNA)
where:
Base-Base interactions energy: -41.803
where: short stacking energy: -40.718
Base-Backbone interact. energy: -0.003
local terms energy: -119.159451
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -42.442
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -0.775
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: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -574.438534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.438534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.438534 (E_RNA)
where:
Base-Base interactions energy: -391.893
where: short stacking energy: -158.372
Base-Backbone interact. energy: -1.428
local terms energy: -181.117297
where:
bonds (distance) C4'-P energy: -36.858
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -24.327
tors. eta vs tors. theta energy: -48.414
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: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -574.294812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.294812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.294812 (E_RNA)
where:
Base-Base interactions energy: -406.473
where: short stacking energy: -145.842
Base-Backbone interact. energy: -1.228
local terms energy: -166.593776
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -35.297
flat angles C4'-P-C4' energy: -38.793
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -38.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -539.454597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.454597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.454597 (E_RNA)
where:
Base-Base interactions energy: -364.908
where: short stacking energy: -149.736
Base-Backbone interact. energy: -1.499
local terms energy: -173.048241
where:
bonds (distance) C4'-P energy: -31.737
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -44.787
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -40.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -487.594507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.594507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.594507 (E_RNA)
where:
Base-Base interactions energy: -336.825
where: short stacking energy: -136.019
Base-Backbone interact. energy: 1.495
local terms energy: -152.265449
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -38.707
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -33.304
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -360.429788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.429788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.429788 (E_RNA)
where:
Base-Base interactions energy: -221.230
where: short stacking energy: -106.005
Base-Backbone interact. energy: -2.353
local terms energy: -136.847195
where:
bonds (distance) C4'-P energy: -37.625
bonds (distance) P-C4' energy: -37.819
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -413.132455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.132455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.132455 (E_RNA)
where:
Base-Base interactions energy: -263.629
where: short stacking energy: -119.580
Base-Backbone interact. energy: -1.742
local terms energy: -147.761446
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -39.538
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -30.184
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: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -309.600679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.600679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.600679 (E_RNA)
where:
Base-Base interactions energy: -191.460
where: short stacking energy: -83.307
Base-Backbone interact. energy: -0.637
local terms energy: -117.503389
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -23.310
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: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -293.826837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.826837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.826837 (E_RNA)
where:
Base-Base interactions energy: -168.376
where: short stacking energy: -80.611
Base-Backbone interact. energy: -0.339
local terms energy: -125.112062
where:
bonds (distance) C4'-P energy: -33.193
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -173.676740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.676740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.676740 (E_RNA)
where:
Base-Base interactions energy: -64.204
where: short stacking energy: -60.731
Base-Backbone interact. energy: 1.180
local terms energy: -110.653164
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -31.754
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -8.468
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: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -153.912766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.912766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.912766 (E_RNA)
where:
Base-Base interactions energy: -63.033
where: short stacking energy: -40.206
Base-Backbone interact. energy: 1.719
local terms energy: -92.598478
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -29.248
flat angles P-C4'-P energy: -14.555
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: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -576.798416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.798416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.798416 (E_RNA)
where:
Base-Base interactions energy: -396.369
where: short stacking energy: -143.479
Base-Backbone interact. energy: -1.400
local terms energy: -179.029180
where:
bonds (distance) C4'-P energy: -31.267
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -42.454
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -40.935
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: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -556.364584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.364584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.364584 (E_RNA)
where:
Base-Base interactions energy: -378.548
where: short stacking energy: -160.090
Base-Backbone interact. energy: -1.060
local terms energy: -177.145708
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -37.147
flat angles C4'-P-C4' energy: -35.419
flat angles P-C4'-P energy: -27.551
tors. eta vs tors. theta energy: -42.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.389 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -555.698398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.698398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.698398 (E_RNA)
where:
Base-Base interactions energy: -381.243
where: short stacking energy: -150.684
Base-Backbone interact. energy: -1.661
local terms energy: -172.794475
where:
bonds (distance) C4'-P energy: -38.787
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -41.438
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -37.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -482.581562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.581562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.581562 (E_RNA)
where:
Base-Base interactions energy: -307.118
where: short stacking energy: -141.161
Base-Backbone interact. energy: -0.136
local terms energy: -175.328041
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -39.382
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -37.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -367.076392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.076392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.076392 (E_RNA)
where:
Base-Base interactions energy: -226.167
where: short stacking energy: -104.802
Base-Backbone interact. energy: -0.049
local terms energy: -140.861002
where:
bonds (distance) C4'-P energy: -36.495
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -392.822222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.822222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.822222 (E_RNA)
where:
Base-Base interactions energy: -244.020
where: short stacking energy: -108.698
Base-Backbone interact. energy: -1.052
local terms energy: -147.749924
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -28.654
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: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -319.936673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.936673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.936673 (E_RNA)
where:
Base-Base interactions energy: -192.476
where: short stacking energy: -88.668
Base-Backbone interact. energy: 1.152
local terms energy: -128.612852
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -295.114292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.114292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.114292 (E_RNA)
where:
Base-Base interactions energy: -175.986
where: short stacking energy: -73.187
Base-Backbone interact. energy: -0.192
local terms energy: -118.936592
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -27.126
flat angles P-C4'-P energy: -29.797
tors. eta vs tors. theta energy: -11.108
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -189.319036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.319036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.319036 (E_RNA)
where:
Base-Base interactions energy: -84.783
where: short stacking energy: -42.447
Base-Backbone interact. energy: 1.607
local terms energy: -106.142483
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: 3.652
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: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -156.783289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.783289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.783289 (E_RNA)
where:
Base-Base interactions energy: -57.507
where: short stacking energy: -42.945
Base-Backbone interact. energy: -0.806
local terms energy: -98.470835
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -560.385012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.385012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.385012 (E_RNA)
where:
Base-Base interactions energy: -376.764
where: short stacking energy: -135.169
Base-Backbone interact. energy: -1.070
local terms energy: -182.551789
where:
bonds (distance) C4'-P energy: -36.122
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -38.994
flat angles P-C4'-P energy: -26.008
tors. eta vs tors. theta energy: -45.073
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: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -550.875995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.875995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.875995 (E_RNA)
where:
Base-Base interactions energy: -376.571
where: short stacking energy: -155.387
Base-Backbone interact. energy: -0.456
local terms energy: -173.848766
where:
bonds (distance) C4'-P energy: -35.737
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -39.247
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -42.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -537.381310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.381310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.381310 (E_RNA)
where:
Base-Base interactions energy: -377.430
where: short stacking energy: -145.940
Base-Backbone interact. energy: -0.820
local terms energy: -160.288905
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -34.032
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -44.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.157 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -508.825817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.825817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.825817 (E_RNA)
where:
Base-Base interactions energy: -358.406
where: short stacking energy: -151.874
Base-Backbone interact. energy: -0.605
local terms energy: -149.815001
where:
bonds (distance) C4'-P energy: -32.622
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -36.301
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: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -401.511064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.511064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.511064 (E_RNA)
where:
Base-Base interactions energy: -257.537
where: short stacking energy: -112.764
Base-Backbone interact. energy: -0.743
local terms energy: -143.439593
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -26.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.209 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -371.699085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.699085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.699085 (E_RNA)
where:
Base-Base interactions energy: -231.533
where: short stacking energy: -95.117
Base-Backbone interact. energy: -1.415
local terms energy: -138.750910
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -29.646
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -338.747339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.747339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.747339 (E_RNA)
where:
Base-Base interactions energy: -198.276
where: short stacking energy: -98.164
Base-Backbone interact. energy: -1.315
local terms energy: -139.156449
where:
bonds (distance) C4'-P energy: -32.773
bonds (distance) P-C4' energy: -36.298
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -293.793359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.793359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.793359 (E_RNA)
where:
Base-Base interactions energy: -168.971
where: short stacking energy: -74.683
Base-Backbone interact. energy: -0.447
local terms energy: -124.375892
where:
bonds (distance) C4'-P energy: -27.283
bonds (distance) P-C4' energy: -34.360
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -10.691
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: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -167.296506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.296506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.296506 (E_RNA)
where:
Base-Base interactions energy: -64.251
where: short stacking energy: -35.896
Base-Backbone interact. energy: -0.572
local terms energy: -102.474319
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -37.881
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -172.202725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.202725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.202725 (E_RNA)
where:
Base-Base interactions energy: -62.564
where: short stacking energy: -58.384
Base-Backbone interact. energy: 0.096
local terms energy: -109.735360
where:
bonds (distance) C4'-P energy: -34.149
bonds (distance) P-C4' energy: -33.806
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -7.493
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -573.514309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.514309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.514309 (E_RNA)
where:
Base-Base interactions energy: -396.548
where: short stacking energy: -157.771
Base-Backbone interact. energy: -0.240
local terms energy: -176.725645
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -37.159
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -29.587
tors. eta vs tors. theta energy: -48.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -557.270728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.270728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.270728 (E_RNA)
where:
Base-Base interactions energy: -387.657
where: short stacking energy: -135.293
Base-Backbone interact. energy: -3.084
local terms energy: -166.546616
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -36.221
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -33.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.016 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -557.116095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.116095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.116095 (E_RNA)
where:
Base-Base interactions energy: -375.330
where: short stacking energy: -157.339
Base-Backbone interact. energy: -0.997
local terms energy: -180.788934
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -34.920
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -45.146
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: 145
Temperature: 1.050000
Total energy: -492.610478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.610478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.610478 (E_RNA)
where:
Base-Base interactions energy: -338.600
where: short stacking energy: -133.631
Base-Backbone interact. energy: -0.480
local terms energy: -153.530151
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -35.763
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -36.159
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: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -385.731317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.731317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.731317 (E_RNA)
where:
Base-Base interactions energy: -231.346
where: short stacking energy: -119.969
Base-Backbone interact. energy: -0.272
local terms energy: -154.809356
where:
bonds (distance) C4'-P energy: -37.596
bonds (distance) P-C4' energy: -36.897
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -26.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.696 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -362.006789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.006789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.006789 (E_RNA)
where:
Base-Base interactions energy: -221.835
where: short stacking energy: -94.476
Base-Backbone interact. energy: -1.276
local terms energy: -138.895438
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -25.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -305.231048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.231048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.231048 (E_RNA)
where:
Base-Base interactions energy: -181.051
where: short stacking energy: -80.768
Base-Backbone interact. energy: -1.879
local terms energy: -122.301160
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -37.362
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -312.633590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.633590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.633590 (E_RNA)
where:
Base-Base interactions energy: -192.394
where: short stacking energy: -91.065
Base-Backbone interact. energy: -0.766
local terms energy: -119.473418
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -37.073
flat angles C4'-P-C4' energy: -27.749
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -178.894607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.894607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.894607 (E_RNA)
where:
Base-Base interactions energy: -74.528
where: short stacking energy: -50.188
Base-Backbone interact. energy: -0.685
local terms energy: -103.682322
where:
bonds (distance) C4'-P energy: -27.001
bonds (distance) P-C4' energy: -25.954
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -21.273
tors. eta vs tors. theta energy: -3.583
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: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -211.182612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.182612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.182612 (E_RNA)
where:
Base-Base interactions energy: -105.164
where: short stacking energy: -54.442
Base-Backbone interact. energy: -0.829
local terms energy: -105.190355
where:
bonds (distance) C4'-P energy: -34.197
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -588.687524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.687524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.687524 (E_RNA)
where:
Base-Base interactions energy: -398.174
where: short stacking energy: -172.111
Base-Backbone interact. energy: -0.156
local terms energy: -190.813636
where:
bonds (distance) C4'-P energy: -34.764
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -28.604
tors. eta vs tors. theta energy: -55.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.456 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -554.773519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.773519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.773519 (E_RNA)
where:
Base-Base interactions energy: -388.484
where: short stacking energy: -140.687
Base-Backbone interact. energy: -1.461
local terms energy: -164.933123
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -36.556
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -36.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.104 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -546.927159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.927159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.927159 (E_RNA)
where:
Base-Base interactions energy: -379.366
where: short stacking energy: -159.520
Base-Backbone interact. energy: -0.130
local terms energy: -167.431102
where:
bonds (distance) C4'-P energy: -36.247
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -40.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -493.465120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.465120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.465120 (E_RNA)
where:
Base-Base interactions energy: -319.976
where: short stacking energy: -129.328
Base-Backbone interact. energy: -0.191
local terms energy: -173.297671
where:
bonds (distance) C4'-P energy: -40.455
bonds (distance) P-C4' energy: -35.342
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: -36.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -399.746688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.746688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.746688 (E_RNA)
where:
Base-Base interactions energy: -250.435
where: short stacking energy: -114.094
Base-Backbone interact. energy: -0.577
local terms energy: -148.734851
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -34.157
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -28.682
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: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -360.113187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.113187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.113187 (E_RNA)
where:
Base-Base interactions energy: -218.775
where: short stacking energy: -103.600
Base-Backbone interact. energy: -0.767
local terms energy: -140.571548
where:
bonds (distance) C4'-P energy: -25.498
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -33.259
flat angles P-C4'-P energy: -25.282
tors. eta vs tors. theta energy: -24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -340.997995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.997995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.997995 (E_RNA)
where:
Base-Base interactions energy: -193.767
where: short stacking energy: -97.086
Base-Backbone interact. energy: 0.589
local terms energy: -147.819831
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -36.773
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -315.369534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.369534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.369534 (E_RNA)
where:
Base-Base interactions energy: -186.617
where: short stacking energy: -88.523
Base-Backbone interact. energy: -1.584
local terms energy: -127.167730
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -31.251
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -232.680131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.680131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.680131 (E_RNA)
where:
Base-Base interactions energy: -125.605
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.479
local terms energy: -106.595919
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -32.332
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: 0.153
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: 146
Temperature: 1.350000
Total energy: -164.260853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.260853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.260853 (E_RNA)
where:
Base-Base interactions energy: -41.512
where: short stacking energy: -41.512
Base-Backbone interact. energy: -0.104
local terms energy: -122.645036
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -29.347
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -584.134477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.134477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.134477 (E_RNA)
where:
Base-Base interactions energy: -394.123
where: short stacking energy: -172.036
Base-Backbone interact. energy: -0.718
local terms energy: -189.293715
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -40.097
flat angles C4'-P-C4' energy: -39.190
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: -53.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -549.929126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.929126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.929126 (E_RNA)
where:
Base-Base interactions energy: -380.734
where: short stacking energy: -143.401
Base-Backbone interact. energy: -1.544
local terms energy: -167.651316
where:
bonds (distance) C4'-P energy: -30.803
bonds (distance) P-C4' energy: -37.079
flat angles C4'-P-C4' energy: -40.182
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -32.256
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: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -549.943100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.943100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.943100 (E_RNA)
where:
Base-Base interactions energy: -376.010
where: short stacking energy: -155.683
Base-Backbone interact. energy: -0.001
local terms energy: -173.932424
where:
bonds (distance) C4'-P energy: -34.125
bonds (distance) P-C4' energy: -37.138
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -27.752
tors. eta vs tors. theta energy: -38.303
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -502.150153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.150153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.150153 (E_RNA)
where:
Base-Base interactions energy: -332.783
where: short stacking energy: -138.144
Base-Backbone interact. energy: -0.112
local terms energy: -169.255672
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -42.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -365.440138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.440138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.440138 (E_RNA)
where:
Base-Base interactions energy: -221.588
where: short stacking energy: -94.953
Base-Backbone interact. energy: -0.634
local terms energy: -143.533305
where:
bonds (distance) C4'-P energy: -38.181
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -32.603
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.315 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -385.849512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.849512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.849512 (E_RNA)
where:
Base-Base interactions energy: -246.275
where: short stacking energy: -106.923
Base-Backbone interact. energy: -0.272
local terms energy: -139.302449
where:
bonds (distance) C4'-P energy: -30.479
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -23.860
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -332.884734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.884734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.884734 (E_RNA)
where:
Base-Base interactions energy: -207.185
where: short stacking energy: -95.533
Base-Backbone interact. energy: -0.144
local terms energy: -125.615031
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -28.287
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.059 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -298.591647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.591647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.591647 (E_RNA)
where:
Base-Base interactions energy: -177.887
where: short stacking energy: -77.791
Base-Backbone interact. energy: -0.779
local terms energy: -119.926270
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -18.543
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: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -289.790025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.790025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.790025 (E_RNA)
where:
Base-Base interactions energy: -152.211
where: short stacking energy: -90.478
Base-Backbone interact. energy: 1.071
local terms energy: -138.649961
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: -23.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -163.344391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.344391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.344391 (E_RNA)
where:
Base-Base interactions energy: -48.366
where: short stacking energy: -42.960
Base-Backbone interact. energy: -1.260
local terms energy: -113.718651
where:
bonds (distance) C4'-P energy: -34.916
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -4.128
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: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -567.679287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.679287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.679287 (E_RNA)
where:
Base-Base interactions energy: -400.115
where: short stacking energy: -161.471
Base-Backbone interact. energy: 1.287
local terms energy: -168.851637
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -37.508
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -562.359138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.359138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.359138 (E_RNA)
where:
Base-Base interactions energy: -376.786
where: short stacking energy: -154.475
Base-Backbone interact. energy: -0.724
local terms energy: -184.849339
where:
bonds (distance) C4'-P energy: -36.570
bonds (distance) P-C4' energy: -30.415
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -54.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -546.971611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.971611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.971611 (E_RNA)
where:
Base-Base interactions energy: -380.527
where: short stacking energy: -142.621
Base-Backbone interact. energy: -0.229
local terms energy: -166.216248
where:
bonds (distance) C4'-P energy: -33.672
bonds (distance) P-C4' energy: -34.805
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -43.137
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: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -497.114207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.114207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.114207 (E_RNA)
where:
Base-Base interactions energy: -332.676
where: short stacking energy: -141.329
Base-Backbone interact. energy: -0.139
local terms energy: -164.299575
where:
bonds (distance) C4'-P energy: -34.122
bonds (distance) P-C4' energy: -35.376
flat angles C4'-P-C4' energy: -36.040
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -40.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -428.033759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.033759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.033759 (E_RNA)
where:
Base-Base interactions energy: -260.295
where: short stacking energy: -117.750
Base-Backbone interact. energy: -1.899
local terms energy: -165.839652
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -35.983
flat angles C4'-P-C4' energy: -37.787
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -34.549
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: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -362.409463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.409463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.409463 (E_RNA)
where:
Base-Base interactions energy: -217.448
where: short stacking energy: -113.144
Base-Backbone interact. energy: -0.880
local terms energy: -144.081737
where:
bonds (distance) C4'-P energy: -35.278
bonds (distance) P-C4' energy: -32.967
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -367.425557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.425557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.425557 (E_RNA)
where:
Base-Base interactions energy: -219.760
where: short stacking energy: -106.551
Base-Backbone interact. energy: 1.914
local terms energy: -149.579595
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -31.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -298.782879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.782879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.782879 (E_RNA)
where:
Base-Base interactions energy: -174.480
where: short stacking energy: -72.999
Base-Backbone interact. energy: -2.022
local terms energy: -122.280192
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -32.901
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -20.623
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: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -234.829632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.829632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.829632 (E_RNA)
where:
Base-Base interactions energy: -112.544
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.951
local terms energy: -121.334694
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -5.540
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: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -162.769080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.769080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.769080 (E_RNA)
where:
Base-Base interactions energy: -67.085
where: short stacking energy: -53.100
Base-Backbone interact. energy: 1.647
local terms energy: -97.331232
where:
bonds (distance) C4'-P energy: -35.771
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: 0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -586.087051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.087051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.087051 (E_RNA)
where:
Base-Base interactions energy: -407.355
where: short stacking energy: -161.944
Base-Backbone interact. energy: -1.360
local terms energy: -177.371450
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -37.631
flat angles C4'-P-C4' energy: -34.641
flat angles P-C4'-P energy: -29.350
tors. eta vs tors. theta energy: -40.232
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: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -569.963587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.963587 (E_RNA)
where:
Base-Base interactions energy: -390.013
where: short stacking energy: -155.911
Base-Backbone interact. energy: -1.039
local terms energy: -178.911791
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -39.588
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -53.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -559.441618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.441618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.441618 (E_RNA)
where:
Base-Base interactions energy: -390.264
where: short stacking energy: -151.350
Base-Backbone interact. energy: -0.909
local terms energy: -168.269459
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -39.814
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -41.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -510.809515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.809515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.809515 (E_RNA)
where:
Base-Base interactions energy: -343.894
where: short stacking energy: -134.875
Base-Backbone interact. energy: 0.587
local terms energy: -167.502919
where:
bonds (distance) C4'-P energy: -38.486
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -38.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -436.749567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.749567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.749567 (E_RNA)
where:
Base-Base interactions energy: -268.553
where: short stacking energy: -130.837
Base-Backbone interact. energy: -2.565
local terms energy: -165.631412
where:
bonds (distance) C4'-P energy: -34.968
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -38.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -387.080476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.080476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.080476 (E_RNA)
where:
Base-Base interactions energy: -233.301
where: short stacking energy: -112.762
Base-Backbone interact. energy: -0.526
local terms energy: -153.415284
where:
bonds (distance) C4'-P energy: -36.467
bonds (distance) P-C4' energy: -39.307
flat angles C4'-P-C4' energy: -29.823
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -32.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.161 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -366.215907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.215907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.215907 (E_RNA)
where:
Base-Base interactions energy: -230.329
where: short stacking energy: -113.839
Base-Backbone interact. energy: -0.621
local terms energy: -136.364704
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: -24.261
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: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -241.790007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.790007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.790007 (E_RNA)
where:
Base-Base interactions energy: -117.860
where: short stacking energy: -46.894
Base-Backbone interact. energy: 0.311
local terms energy: -124.240589
where:
bonds (distance) C4'-P energy: -40.870
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: 2.192
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: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -291.307601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.307601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.307601 (E_RNA)
where:
Base-Base interactions energy: -169.890
where: short stacking energy: -73.065
Base-Backbone interact. energy: 1.215
local terms energy: -123.495766
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -26.405
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.863 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -158.864728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.864728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.864728 (E_RNA)
where:
Base-Base interactions energy: -39.181
where: short stacking energy: -36.951
Base-Backbone interact. energy: -0.501
local terms energy: -119.182685
where:
bonds (distance) C4'-P energy: -39.935
bonds (distance) P-C4' energy: -30.431
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -564.969658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.969658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.969658 (E_RNA)
where:
Base-Base interactions energy: -395.593
where: short stacking energy: -151.038
Base-Backbone interact. energy: -1.412
local terms energy: -167.964525
where:
bonds (distance) C4'-P energy: -35.894
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -38.060
flat angles P-C4'-P energy: -28.911
tors. eta vs tors. theta energy: -36.482
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: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -563.586721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.586721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.586721 (E_RNA)
where:
Base-Base interactions energy: -383.448
where: short stacking energy: -157.765
Base-Backbone interact. energy: -0.937
local terms energy: -179.202153
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -35.403
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: -50.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -577.328443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.328443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.328443 (E_RNA)
where:
Base-Base interactions energy: -406.123
where: short stacking energy: -162.931
Base-Backbone interact. energy: -1.003
local terms energy: -170.202257
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -23.388
tors. eta vs tors. theta energy: -46.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -516.426006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.426006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.426006 (E_RNA)
where:
Base-Base interactions energy: -356.033
where: short stacking energy: -145.840
Base-Backbone interact. energy: 2.474
local terms energy: -162.866758
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -32.903
flat angles C4'-P-C4' energy: -40.048
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -40.255
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: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -410.315088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.315088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.315088 (E_RNA)
where:
Base-Base interactions energy: -257.100
where: short stacking energy: -125.054
Base-Backbone interact. energy: -0.970
local terms energy: -152.493048
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -35.681
flat angles C4'-P-C4' energy: -33.102
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -33.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.248 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -399.267112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.267112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.267112 (E_RNA)
where:
Base-Base interactions energy: -252.359
where: short stacking energy: -119.584
Base-Backbone interact. energy: -1.263
local terms energy: -145.644969
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -30.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -363.128436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.128436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.128436 (E_RNA)
where:
Base-Base interactions energy: -223.354
where: short stacking energy: -109.462
Base-Backbone interact. energy: -0.711
local terms energy: -139.062714
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -35.879
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -29.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -234.485301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.485301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.485301 (E_RNA)
where:
Base-Base interactions energy: -136.963
where: short stacking energy: -72.175
Base-Backbone interact. energy: -1.953
local terms energy: -95.569194
where:
bonds (distance) C4'-P energy: -30.998
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -16.946
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: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -292.622403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.622403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.622403 (E_RNA)
where:
Base-Base interactions energy: -183.519
where: short stacking energy: -85.106
Base-Backbone interact. energy: 1.814
local terms energy: -110.955196
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -35.856
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.038 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -165.198949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.198949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.198949 (E_RNA)
where:
Base-Base interactions energy: -54.753
where: short stacking energy: -52.388
Base-Backbone interact. energy: -0.211
local terms energy: -110.234511
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -27.858
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -3.617
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: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -576.192022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.192022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.192022 (E_RNA)
where:
Base-Base interactions energy: -399.772
where: short stacking energy: -159.076
Base-Backbone interact. energy: -1.990
local terms energy: -174.429480
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -38.633
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -41.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -579.002402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.002402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.002402 (E_RNA)
where:
Base-Base interactions energy: -412.800
where: short stacking energy: -165.443
Base-Backbone interact. energy: -1.353
local terms energy: -164.848883
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -38.645
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -44.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -557.773658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.773658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.773658 (E_RNA)
where:
Base-Base interactions energy: -373.764
where: short stacking energy: -157.611
Base-Backbone interact. energy: -0.805
local terms energy: -183.391662
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -39.483
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -51.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.187 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -515.147871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.147871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.147871 (E_RNA)
where:
Base-Base interactions energy: -352.086
where: short stacking energy: -140.978
Base-Backbone interact. energy: -0.101
local terms energy: -162.960752
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -38.886
flat angles P-C4'-P energy: -24.953
tors. eta vs tors. theta energy: -38.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -409.196088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.196088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.196088 (E_RNA)
where:
Base-Base interactions energy: -263.168
where: short stacking energy: -122.300
Base-Backbone interact. energy: -1.501
local terms energy: -144.526240
where:
bonds (distance) C4'-P energy: -29.303
bonds (distance) P-C4' energy: -36.647
flat angles C4'-P-C4' energy: -30.606
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -29.233
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: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -389.967446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.967446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.967446 (E_RNA)
where:
Base-Base interactions energy: -250.908
where: short stacking energy: -115.652
Base-Backbone interact. energy: -0.545
local terms energy: -138.514541
where:
bonds (distance) C4'-P energy: -33.878
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -365.910081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.910081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.910081 (E_RNA)
where:
Base-Base interactions energy: -230.447
where: short stacking energy: -104.228
Base-Backbone interact. energy: -0.968
local terms energy: -134.937999
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -33.325
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.442 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -299.959089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.959089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.959089 (E_RNA)
where:
Base-Base interactions energy: -186.527
where: short stacking energy: -82.856
Base-Backbone interact. energy: -1.941
local terms energy: -111.490887
where:
bonds (distance) C4'-P energy: -29.664
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -11.058
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: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -222.208604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.208604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.208604 (E_RNA)
where:
Base-Base interactions energy: -126.762
where: short stacking energy: -67.683
Base-Backbone interact. energy: -1.257
local terms energy: -94.189591
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -30.311
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -6.250
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: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -164.246767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.246767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.246767 (E_RNA)
where:
Base-Base interactions energy: -61.288
where: short stacking energy: -41.013
Base-Backbone interact. energy: -1.864
local terms energy: -101.094664
where:
bonds (distance) C4'-P energy: -32.565
bonds (distance) P-C4' energy: -33.528
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -587.154281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.154281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.154281 (E_RNA)
where:
Base-Base interactions energy: -405.416
where: short stacking energy: -163.767
Base-Backbone interact. energy: 0.240
local terms energy: -181.978337
where:
bonds (distance) C4'-P energy: -36.960
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -39.347
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -565.460109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.460109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.460109 (E_RNA)
where:
Base-Base interactions energy: -391.560
where: short stacking energy: -135.343
Base-Backbone interact. energy: -0.974
local terms energy: -172.926143
where:
bonds (distance) C4'-P energy: -31.857
bonds (distance) P-C4' energy: -39.170
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -44.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -530.196461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.196461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.196461 (E_RNA)
where:
Base-Base interactions energy: -357.100
where: short stacking energy: -159.035
Base-Backbone interact. energy: 1.251
local terms energy: -174.347861
where:
bonds (distance) C4'-P energy: -39.379
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -33.670
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -41.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -535.230791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.230791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.230791 (E_RNA)
where:
Base-Base interactions energy: -370.481
where: short stacking energy: -150.503
Base-Backbone interact. energy: -2.162
local terms energy: -162.587636
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -48.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -408.159772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.159772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.159772 (E_RNA)
where:
Base-Base interactions energy: -267.354
where: short stacking energy: -117.436
Base-Backbone interact. energy: 1.522
local terms energy: -142.327588
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -29.929
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: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -399.154887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.154887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.154887 (E_RNA)
where:
Base-Base interactions energy: -244.597
where: short stacking energy: -111.368
Base-Backbone interact. energy: -1.094
local terms energy: -153.464437
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -31.584
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -26.955
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: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -358.262424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.262424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.262424 (E_RNA)
where:
Base-Base interactions energy: -222.863
where: short stacking energy: -107.273
Base-Backbone interact. energy: -0.127
local terms energy: -138.189691
where:
bonds (distance) C4'-P energy: -31.099
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.917 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -311.270047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.270047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.270047 (E_RNA)
where:
Base-Base interactions energy: -174.519
where: short stacking energy: -81.382
Base-Backbone interact. energy: 0.497
local terms energy: -137.247349
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -40.229
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -15.380
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: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -178.087964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.087964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.087964 (E_RNA)
where:
Base-Base interactions energy: -68.437
where: short stacking energy: -59.015
Base-Backbone interact. energy: -0.051
local terms energy: -109.600411
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -5.392
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -205.709005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.709005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.709005 (E_RNA)
where:
Base-Base interactions energy: -100.030
where: short stacking energy: -44.568
Base-Backbone interact. energy: -1.076
local terms energy: -104.657771
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -31.082
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.055 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -589.514707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.514707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.514707 (E_RNA)
where:
Base-Base interactions energy: -395.924
where: short stacking energy: -154.555
Base-Backbone interact. energy: -0.620
local terms energy: -192.970087
where:
bonds (distance) C4'-P energy: -41.491
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -37.931
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -49.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -548.327536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.327536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.327536 (E_RNA)
where:
Base-Base interactions energy: -369.863
where: short stacking energy: -151.118
Base-Backbone interact. energy: 0.041
local terms energy: -178.505160
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -41.712
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -48.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -540.667591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.667591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.667591 (E_RNA)
where:
Base-Base interactions energy: -370.088
where: short stacking energy: -124.340
Base-Backbone interact. energy: -1.769
local terms energy: -173.335828
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -37.078
flat angles C4'-P-C4' energy: -41.506
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.525 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -513.808416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.808416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.808416 (E_RNA)
where:
Base-Base interactions energy: -348.091
where: short stacking energy: -140.374
Base-Backbone interact. energy: -0.486
local terms energy: -165.230989
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -29.171
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -45.812
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: 153
Temperature: 1.100000
Total energy: -414.157855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.157855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.157855 (E_RNA)
where:
Base-Base interactions energy: -276.499
where: short stacking energy: -110.767
Base-Backbone interact. energy: -0.893
local terms energy: -137.656177
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -30.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.890 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -382.526130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.526130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.526130 (E_RNA)
where:
Base-Base interactions energy: -235.344
where: short stacking energy: -105.466
Base-Backbone interact. energy: -1.537
local terms energy: -145.644727
where:
bonds (distance) C4'-P energy: -28.499
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -41.580
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -311.239999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.239999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.239999 (E_RNA)
where:
Base-Base interactions energy: -182.332
where: short stacking energy: -88.644
Base-Backbone interact. energy: -1.430
local terms energy: -127.477493
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -33.455
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -320.482756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.482756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.482756 (E_RNA)
where:
Base-Base interactions energy: -195.246
where: short stacking energy: -96.119
Base-Backbone interact. energy: -1.038
local terms energy: -124.198449
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -39.229
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -13.716
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: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -202.151795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.151795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.151795 (E_RNA)
where:
Base-Base interactions energy: -99.820
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.416
local terms energy: -101.916538
where:
bonds (distance) C4'-P energy: -37.292
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -3.784
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: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -188.736749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.736749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.736749 (E_RNA)
where:
Base-Base interactions energy: -88.148
where: short stacking energy: -46.560
Base-Backbone interact. energy: -0.873
local terms energy: -102.207848
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -29.452
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: 1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.492 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -591.615489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.615489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.615489 (E_RNA)
where:
Base-Base interactions energy: -409.299
where: short stacking energy: -160.595
Base-Backbone interact. energy: -1.483
local terms energy: -180.833142
where:
bonds (distance) C4'-P energy: -30.164
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -44.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -550.933304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.933304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.933304 (E_RNA)
where:
Base-Base interactions energy: -378.912
where: short stacking energy: -155.542
Base-Backbone interact. energy: -0.086
local terms energy: -171.935060
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -37.379
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -41.600
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: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -544.588380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.588380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.588380 (E_RNA)
where:
Base-Base interactions energy: -382.332
where: short stacking energy: -141.172
Base-Backbone interact. energy: 0.013
local terms energy: -163.970261
where:
bonds (distance) C4'-P energy: -31.524
bonds (distance) P-C4' energy: -35.921
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -29.973
tors. eta vs tors. theta energy: -30.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.701 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -507.018677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.018677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.018677 (E_RNA)
where:
Base-Base interactions energy: -332.454
where: short stacking energy: -133.032
Base-Backbone interact. energy: -1.124
local terms energy: -173.440420
where:
bonds (distance) C4'-P energy: -33.815
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -38.588
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -43.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -376.948508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.948508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.948508 (E_RNA)
where:
Base-Base interactions energy: -222.436
where: short stacking energy: -104.652
Base-Backbone interact. energy: -3.417
local terms energy: -151.095371
where:
bonds (distance) C4'-P energy: -37.364
bonds (distance) P-C4' energy: -34.088
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -373.001017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.001017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.001017 (E_RNA)
where:
Base-Base interactions energy: -225.193
where: short stacking energy: -101.131
Base-Backbone interact. energy: -0.630
local terms energy: -147.177974
where:
bonds (distance) C4'-P energy: -35.159
bonds (distance) P-C4' energy: -36.431
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -337.400691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.400691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.400691 (E_RNA)
where:
Base-Base interactions energy: -211.769
where: short stacking energy: -99.294
Base-Backbone interact. energy: 0.460
local terms energy: -126.572851
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.481 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -319.649788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.649788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.649788 (E_RNA)
where:
Base-Base interactions energy: -182.833
where: short stacking energy: -77.345
Base-Backbone interact. energy: -0.695
local terms energy: -136.122040
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -225.810092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.810092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.810092 (E_RNA)
where:
Base-Base interactions energy: -104.994
where: short stacking energy: -62.161
Base-Backbone interact. energy: 1.669
local terms energy: -122.484848
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -171.060506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.060506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.060506 (E_RNA)
where:
Base-Base interactions energy: -70.653
where: short stacking energy: -39.108
Base-Backbone interact. energy: 0.023
local terms energy: -100.431161
where:
bonds (distance) C4'-P energy: -29.775
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: 4.416
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: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -603.176244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.176244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.176244 (E_RNA)
where:
Base-Base interactions energy: -426.251
where: short stacking energy: -157.540
Base-Backbone interact. energy: -1.087
local terms energy: -175.837366
where:
bonds (distance) C4'-P energy: -39.526
bonds (distance) P-C4' energy: -34.509
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -47.580
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: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -546.367051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.367051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.367051 (E_RNA)
where:
Base-Base interactions energy: -373.838
where: short stacking energy: -159.505
Base-Backbone interact. energy: -1.381
local terms energy: -171.148138
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -39.484
flat angles C4'-P-C4' energy: -37.866
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -39.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -536.188153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.188153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.188153 (E_RNA)
where:
Base-Base interactions energy: -373.778
where: short stacking energy: -131.746
Base-Backbone interact. energy: 1.474
local terms energy: -164.463248
where:
bonds (distance) C4'-P energy: -40.539
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -36.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.579 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -506.794656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.794656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.794656 (E_RNA)
where:
Base-Base interactions energy: -335.606
where: short stacking energy: -136.095
Base-Backbone interact. energy: -0.053
local terms energy: -171.135860
where:
bonds (distance) C4'-P energy: -27.291
bonds (distance) P-C4' energy: -40.056
flat angles C4'-P-C4' energy: -40.904
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -42.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -358.405418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.405418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.405418 (E_RNA)
where:
Base-Base interactions energy: -213.408
where: short stacking energy: -111.606
Base-Backbone interact. energy: -0.495
local terms energy: -144.502562
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -31.147
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -367.979904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.979904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.979904 (E_RNA)
where:
Base-Base interactions energy: -219.402
where: short stacking energy: -101.430
Base-Backbone interact. energy: -0.527
local terms energy: -148.051247
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -34.550
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -331.751974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.751974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.751974 (E_RNA)
where:
Base-Base interactions energy: -196.240
where: short stacking energy: -100.305
Base-Backbone interact. energy: -0.124
local terms energy: -135.895348
where:
bonds (distance) C4'-P energy: -32.489
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -30.517
flat angles P-C4'-P energy: -20.605
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: 0.507 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -315.488910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.488910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.488910 (E_RNA)
where:
Base-Base interactions energy: -185.966
where: short stacking energy: -74.733
Base-Backbone interact. energy: -1.638
local terms energy: -127.884964
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -31.587
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -219.394947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.394947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.394947 (E_RNA)
where:
Base-Base interactions energy: -112.556
where: short stacking energy: -63.893
Base-Backbone interact. energy: 2.048
local terms energy: -108.886980
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -35.947
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: 7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -169.701369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.701369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.701369 (E_RNA)
where:
Base-Base interactions energy: -62.657
where: short stacking energy: -36.994
Base-Backbone interact. energy: -0.626
local terms energy: -106.418690
where:
bonds (distance) C4'-P energy: -34.634
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: 7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -557.950150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.950150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.950150 (E_RNA)
where:
Base-Base interactions energy: -372.781
where: short stacking energy: -154.273
Base-Backbone interact. energy: -0.908
local terms energy: -184.260563
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -36.717
flat angles C4'-P-C4' energy: -40.366
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -46.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -570.570267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.570267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.570267 (E_RNA)
where:
Base-Base interactions energy: -387.145
where: short stacking energy: -157.145
Base-Backbone interact. energy: -1.850
local terms energy: -181.575671
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -36.567
flat angles C4'-P-C4' energy: -40.160
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -44.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -539.817011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.817011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.817011 (E_RNA)
where:
Base-Base interactions energy: -370.417
where: short stacking energy: -135.296
Base-Backbone interact. energy: -0.373
local terms energy: -169.027420
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -36.760
flat angles C4'-P-C4' energy: -33.937
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -40.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -517.332341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.332341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.332341 (E_RNA)
where:
Base-Base interactions energy: -350.680
where: short stacking energy: -141.308
Base-Backbone interact. energy: -1.223
local terms energy: -165.428488
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -43.317
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: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -408.745832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.745832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.745832 (E_RNA)
where:
Base-Base interactions energy: -265.744
where: short stacking energy: -108.408
Base-Backbone interact. energy: -1.883
local terms energy: -141.118992
where:
bonds (distance) C4'-P energy: -31.126
bonds (distance) P-C4' energy: -33.939
flat angles C4'-P-C4' energy: -37.016
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -370.247653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.247653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.247653 (E_RNA)
where:
Base-Base interactions energy: -244.300
where: short stacking energy: -93.740
Base-Backbone interact. energy: -1.111
local terms energy: -124.837399
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -17.116
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: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -327.235513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.235513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.235513 (E_RNA)
where:
Base-Base interactions energy: -206.471
where: short stacking energy: -96.771
Base-Backbone interact. energy: -1.281
local terms energy: -120.974388
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.491 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -311.624483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.624483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.624483 (E_RNA)
where:
Base-Base interactions energy: -218.040
where: short stacking energy: -85.892
Base-Backbone interact. energy: 1.227
local terms energy: -94.811565
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -185.022655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.022655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.022655 (E_RNA)
where:
Base-Base interactions energy: -88.000
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.286
local terms energy: -96.736990
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: 2.029
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: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -237.439332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.439332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.439332 (E_RNA)
where:
Base-Base interactions energy: -123.964
where: short stacking energy: -64.832
Base-Backbone interact. energy: -1.204
local terms energy: -112.271007
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -40.872
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -4.997
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: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -576.008111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.008111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.008111 (E_RNA)
where:
Base-Base interactions energy: -394.477
where: short stacking energy: -162.778
Base-Backbone interact. energy: -2.150
local terms energy: -179.381482
where:
bonds (distance) C4'-P energy: -29.690
bonds (distance) P-C4' energy: -32.204
flat angles C4'-P-C4' energy: -38.001
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -50.484
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: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -579.334852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.334852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.334852 (E_RNA)
where:
Base-Base interactions energy: -413.612
where: short stacking energy: -170.914
Base-Backbone interact. energy: -0.421
local terms energy: -165.302584
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -48.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -551.586367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.586367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.586367 (E_RNA)
where:
Base-Base interactions energy: -389.482
where: short stacking energy: -139.719
Base-Backbone interact. energy: 0.410
local terms energy: -163.644390
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -35.288
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -38.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.129 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -501.686037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.686037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.686037 (E_RNA)
where:
Base-Base interactions energy: -333.819
where: short stacking energy: -131.555
Base-Backbone interact. energy: -0.227
local terms energy: -167.640156
where:
bonds (distance) C4'-P energy: -35.324
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -40.997
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: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -380.855686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.855686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.855686 (E_RNA)
where:
Base-Base interactions energy: -238.566
where: short stacking energy: -101.625
Base-Backbone interact. energy: 0.153
local terms energy: -142.442523
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -327.568636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.568636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.568636 (E_RNA)
where:
Base-Base interactions energy: -195.666
where: short stacking energy: -91.712
Base-Backbone interact. energy: -1.867
local terms energy: -130.035895
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -329.048839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.048839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.048839 (E_RNA)
where:
Base-Base interactions energy: -193.235
where: short stacking energy: -88.608
Base-Backbone interact. energy: -0.289
local terms energy: -135.524994
where:
bonds (distance) C4'-P energy: -35.815
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -328.290425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.290425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.290425 (E_RNA)
where:
Base-Base interactions energy: -184.157
where: short stacking energy: -95.420
Base-Backbone interact. energy: -0.137
local terms energy: -143.995570
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -31.518
tors. eta vs tors. theta energy: -19.639
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -163.064860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.064860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.064860 (E_RNA)
where:
Base-Base interactions energy: -86.239
where: short stacking energy: -67.809
Base-Backbone interact. energy: 1.124
local terms energy: -77.949787
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: 0.317
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: 157
Temperature: 1.350000
Total energy: -208.464958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.464958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.464958 (E_RNA)
where:
Base-Base interactions energy: -102.499
where: short stacking energy: -48.448
Base-Backbone interact. energy: -0.318
local terms energy: -105.647829
where:
bonds (distance) C4'-P energy: -32.335
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -1.233
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: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -608.917892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.917892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.917892 (E_RNA)
where:
Base-Base interactions energy: -424.335
where: short stacking energy: -181.422
Base-Backbone interact. energy: -1.677
local terms energy: -182.905987
where:
bonds (distance) C4'-P energy: -28.993
bonds (distance) P-C4' energy: -39.301
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -50.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -556.664672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.664672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.664672 (E_RNA)
where:
Base-Base interactions energy: -379.016
where: short stacking energy: -158.031
Base-Backbone interact. energy: 1.824
local terms energy: -179.473323
where:
bonds (distance) C4'-P energy: -34.288
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -39.242
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -48.917
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: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -498.642769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.642769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.642769 (E_RNA)
where:
Base-Base interactions energy: -319.922
where: short stacking energy: -132.635
Base-Backbone interact. energy: -1.001
local terms energy: -177.719590
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -42.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -518.741351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.741351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.741351 (E_RNA)
where:
Base-Base interactions energy: -358.865
where: short stacking energy: -129.668
Base-Backbone interact. energy: -2.064
local terms energy: -157.812976
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -35.559
flat angles P-C4'-P energy: -24.037
tors. eta vs tors. theta energy: -38.181
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: 158
Temperature: 1.100000
Total energy: -354.456950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.456950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.456950 (E_RNA)
where:
Base-Base interactions energy: -214.768
where: short stacking energy: -98.204
Base-Backbone interact. energy: -1.275
local terms energy: -138.413990
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -36.929
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -341.806101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.806101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.806101 (E_RNA)
where:
Base-Base interactions energy: -200.075
where: short stacking energy: -96.308
Base-Backbone interact. energy: -0.923
local terms energy: -140.808334
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -319.496434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.496434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.496434 (E_RNA)
where:
Base-Base interactions energy: -182.987
where: short stacking energy: -91.722
Base-Backbone interact. energy: -0.330
local terms energy: -136.180068
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -36.722
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -28.738
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: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -309.625614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.625614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.625614 (E_RNA)
where:
Base-Base interactions energy: -193.948
where: short stacking energy: -77.658
Base-Backbone interact. energy: -0.323
local terms energy: -115.354230
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -2.664
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: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -181.233683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.233683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.233683 (E_RNA)
where:
Base-Base interactions energy: -66.749
where: short stacking energy: -50.619
Base-Backbone interact. energy: -0.582
local terms energy: -113.902849
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -34.020
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: 0.310
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: 158
Temperature: 1.350000
Total energy: -159.346444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.346444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.346444 (E_RNA)
where:
Base-Base interactions energy: -47.300
where: short stacking energy: -45.785
Base-Backbone interact. energy: 0.516
local terms energy: -112.562686
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -38.774
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: 4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -605.936465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.936465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.936465 (E_RNA)
where:
Base-Base interactions energy: -413.742
where: short stacking energy: -166.843
Base-Backbone interact. energy: 0.526
local terms energy: -192.720719
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -47.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -552.546748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.546748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.546748 (E_RNA)
where:
Base-Base interactions energy: -377.353
where: short stacking energy: -158.762
Base-Backbone interact. energy: -1.492
local terms energy: -173.702001
where:
bonds (distance) C4'-P energy: -35.522
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -38.848
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -45.977
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: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -496.421402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.421402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.421402 (E_RNA)
where:
Base-Base interactions energy: -325.476
where: short stacking energy: -145.790
Base-Backbone interact. energy: -0.272
local terms energy: -170.673503
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -37.801
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -39.132
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: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -521.642265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.642265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.642265 (E_RNA)
where:
Base-Base interactions energy: -359.969
where: short stacking energy: -134.139
Base-Backbone interact. energy: -0.876
local terms energy: -160.797527
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -33.617
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -35.487
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: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -357.543861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.543861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.543861 (E_RNA)
where:
Base-Base interactions energy: -224.459
where: short stacking energy: -97.136
Base-Backbone interact. energy: -0.929
local terms energy: -132.156207
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -377.995048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.995048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.995048 (E_RNA)
where:
Base-Base interactions energy: -225.233
where: short stacking energy: -105.094
Base-Backbone interact. energy: -0.489
local terms energy: -152.273113
where:
bonds (distance) C4'-P energy: -33.950
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -29.093
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: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -305.231831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.231831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.231831 (E_RNA)
where:
Base-Base interactions energy: -181.565
where: short stacking energy: -87.136
Base-Backbone interact. energy: -0.830
local terms energy: -122.836028
where:
bonds (distance) C4'-P energy: -35.585
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -7.962
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: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -302.307558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.307558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.307558 (E_RNA)
where:
Base-Base interactions energy: -189.267
where: short stacking energy: -92.342
Base-Backbone interact. energy: -0.246
local terms energy: -112.794078
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -12.096
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: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -178.962324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.962324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.962324 (E_RNA)
where:
Base-Base interactions energy: -74.531
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.555
local terms energy: -103.875983
where:
bonds (distance) C4'-P energy: -33.062
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -34.068
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: 5.964
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: 159
Temperature: 1.350000
Total energy: -160.989006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.989006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.989006 (E_RNA)
where:
Base-Base interactions energy: -56.932
where: short stacking energy: -47.370
Base-Backbone interact. energy: -1.828
local terms energy: -102.228051
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -41.529
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -594.436265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.436265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.436265 (E_RNA)
where:
Base-Base interactions energy: -401.546
where: short stacking energy: -165.698
Base-Backbone interact. energy: -0.425
local terms energy: -192.465490
where:
bonds (distance) C4'-P energy: -30.810
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -45.418
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -50.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -564.819895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.819895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.819895 (E_RNA)
where:
Base-Base interactions energy: -373.818
where: short stacking energy: -150.222
Base-Backbone interact. energy: -2.121
local terms energy: -188.880180
where:
bonds (distance) C4'-P energy: -37.137
bonds (distance) P-C4' energy: -35.038
flat angles C4'-P-C4' energy: -38.791
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -48.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -545.327865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.327865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.327865 (E_RNA)
where:
Base-Base interactions energy: -376.863
where: short stacking energy: -142.904
Base-Backbone interact. energy: -1.334
local terms energy: -167.130167
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -41.197
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -38.099
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: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -474.330588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.330588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.330588 (E_RNA)
where:
Base-Base interactions energy: -295.634
where: short stacking energy: -143.356
Base-Backbone interact. energy: -2.671
local terms energy: -176.025602
where:
bonds (distance) C4'-P energy: -31.464
bonds (distance) P-C4' energy: -39.703
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -45.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -395.685970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.685970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.685970 (E_RNA)
where:
Base-Base interactions energy: -247.263
where: short stacking energy: -119.176
Base-Backbone interact. energy: -1.140
local terms energy: -147.283849
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -36.242
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -26.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -328.016755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.016755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.016755 (E_RNA)
where:
Base-Base interactions energy: -203.430
where: short stacking energy: -87.428
Base-Backbone interact. energy: 1.299
local terms energy: -125.885617
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -339.261417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.261417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.261417 (E_RNA)
where:
Base-Base interactions energy: -220.572
where: short stacking energy: -88.003
Base-Backbone interact. energy: -0.292
local terms energy: -118.396632
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -276.011214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.011214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.011214 (E_RNA)
where:
Base-Base interactions energy: -158.771
where: short stacking energy: -75.073
Base-Backbone interact. energy: -0.591
local terms energy: -116.649229
where:
bonds (distance) C4'-P energy: -31.261
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -9.997
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -177.180958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.180958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.180958 (E_RNA)
where:
Base-Base interactions energy: -61.437
where: short stacking energy: -57.118
Base-Backbone interact. energy: 0.290
local terms energy: -116.034514
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -4.982
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: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -161.779212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.779212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.779212 (E_RNA)
where:
Base-Base interactions energy: -59.780
where: short stacking energy: -39.303
Base-Backbone interact. energy: -1.583
local terms energy: -100.416577
where:
bonds (distance) C4'-P energy: -28.153
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -6.883
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: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -588.851933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.851933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.851933 (E_RNA)
where:
Base-Base interactions energy: -412.435
where: short stacking energy: -170.908
Base-Backbone interact. energy: -0.778
local terms energy: -175.638645
where:
bonds (distance) C4'-P energy: -35.231
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -34.938
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -51.599
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: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -572.232151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.232151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.232151 (E_RNA)
where:
Base-Base interactions energy: -377.186
where: short stacking energy: -160.079
Base-Backbone interact. energy: -0.172
local terms energy: -194.873656
where:
bonds (distance) C4'-P energy: -38.584
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -41.623
flat angles P-C4'-P energy: -29.868
tors. eta vs tors. theta energy: -49.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -543.489239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.489239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.489239 (E_RNA)
where:
Base-Base interactions energy: -373.625
where: short stacking energy: -141.153
Base-Backbone interact. energy: -1.096
local terms energy: -168.768020
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -28.348
tors. eta vs tors. theta energy: -39.908
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: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -514.233913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.233913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.233913 (E_RNA)
where:
Base-Base interactions energy: -334.651
where: short stacking energy: -132.470
Base-Backbone interact. energy: -0.725
local terms energy: -178.858300
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -39.316
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -29.697
tors. eta vs tors. theta energy: -41.457
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: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -390.198800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.198800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.198800 (E_RNA)
where:
Base-Base interactions energy: -229.097
where: short stacking energy: -106.495
Base-Backbone interact. energy: -1.116
local terms energy: -159.985477
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -26.141
tors. eta vs tors. theta energy: -29.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -375.697515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.697515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.697515 (E_RNA)
where:
Base-Base interactions energy: -249.709
where: short stacking energy: -112.409
Base-Backbone interact. energy: -0.824
local terms energy: -126.440574
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.276 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -322.840739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.840739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.840739 (E_RNA)
where:
Base-Base interactions energy: -200.579
where: short stacking energy: -93.076
Base-Backbone interact. energy: -0.458
local terms energy: -123.318911
where:
bonds (distance) C4'-P energy: -31.757
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -13.685
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: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -233.609622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.609622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.609622 (E_RNA)
where:
Base-Base interactions energy: -122.878
where: short stacking energy: -52.905
Base-Backbone interact. energy: 5.270
local terms energy: -116.002213
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -19.596
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: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -185.862123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.862123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.862123 (E_RNA)
where:
Base-Base interactions energy: -76.722
where: short stacking energy: -66.449
Base-Backbone interact. energy: -0.483
local terms energy: -108.657102
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -7.724
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: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -208.655951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.655951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.655951 (E_RNA)
where:
Base-Base interactions energy: -108.926
where: short stacking energy: -59.902
Base-Backbone interact. energy: -1.120
local terms energy: -98.609554
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -36.535
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -567.653701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.653701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.653701 (E_RNA)
where:
Base-Base interactions energy: -378.492
where: short stacking energy: -147.898
Base-Backbone interact. energy: -2.863
local terms energy: -186.298837
where:
bonds (distance) C4'-P energy: -32.873
bonds (distance) P-C4' energy: -38.746
flat angles C4'-P-C4' energy: -38.281
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -45.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -570.913494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.913494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.913494 (E_RNA)
where:
Base-Base interactions energy: -393.105
where: short stacking energy: -167.237
Base-Backbone interact. energy: -0.896
local terms energy: -176.912375
where:
bonds (distance) C4'-P energy: -29.597
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -38.398
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -48.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -565.961850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.961850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.961850 (E_RNA)
where:
Base-Base interactions energy: -390.641
where: short stacking energy: -159.435
Base-Backbone interact. energy: -0.046
local terms energy: -175.461240
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -41.693
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -46.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.187 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -501.733881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.733881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.733881 (E_RNA)
where:
Base-Base interactions energy: -328.056
where: short stacking energy: -148.002
Base-Backbone interact. energy: -1.000
local terms energy: -172.678530
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -35.430
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -45.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -382.506753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.506753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.506753 (E_RNA)
where:
Base-Base interactions energy: -227.615
where: short stacking energy: -92.118
Base-Backbone interact. energy: -1.496
local terms energy: -153.395647
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -39.289
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -375.676235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.676235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.676235 (E_RNA)
where:
Base-Base interactions energy: -232.612
where: short stacking energy: -99.103
Base-Backbone interact. energy: -0.696
local terms energy: -142.368420
where:
bonds (distance) C4'-P energy: -38.184
bonds (distance) P-C4' energy: -37.238
flat angles C4'-P-C4' energy: -26.319
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -327.968255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.968255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.968255 (E_RNA)
where:
Base-Base interactions energy: -189.450
where: short stacking energy: -101.414
Base-Backbone interact. energy: 1.829
local terms energy: -141.128680
where:
bonds (distance) C4'-P energy: -33.780
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -35.052
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.781 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -264.099290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.099290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.099290 (E_RNA)
where:
Base-Base interactions energy: -146.406
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.915
local terms energy: -116.778721
where:
bonds (distance) C4'-P energy: -31.431
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -198.116616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.116616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.116616 (E_RNA)
where:
Base-Base interactions energy: -89.448
where: short stacking energy: -44.409
Base-Backbone interact. energy: -1.684
local terms energy: -106.984912
where:
bonds (distance) C4'-P energy: -33.836
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: 5.012
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: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -165.529734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.529734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.529734 (E_RNA)
where:
Base-Base interactions energy: -70.138
where: short stacking energy: -56.827
Base-Backbone interact. energy: 1.498
local terms energy: -96.889722
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -29.566
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: 1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -584.059675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.059675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.059675 (E_RNA)
where:
Base-Base interactions energy: -389.390
where: short stacking energy: -157.363
Base-Backbone interact. energy: -0.931
local terms energy: -193.738836
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -36.269
flat angles C4'-P-C4' energy: -44.003
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -45.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -577.517443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.517443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.517443 (E_RNA)
where:
Base-Base interactions energy: -386.044
where: short stacking energy: -160.018
Base-Backbone interact. energy: -1.535
local terms energy: -189.938051
where:
bonds (distance) C4'-P energy: -38.132
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -49.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -563.818464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.818464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.818464 (E_RNA)
where:
Base-Base interactions energy: -389.232
where: short stacking energy: -150.474
Base-Backbone interact. energy: -1.165
local terms energy: -173.421253
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -46.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -471.646473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.646473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.646473 (E_RNA)
where:
Base-Base interactions energy: -309.927
where: short stacking energy: -135.177
Base-Backbone interact. energy: -0.021
local terms energy: -161.699192
where:
bonds (distance) C4'-P energy: -30.099
bonds (distance) P-C4' energy: -39.181
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -38.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -378.218538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.218538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.218538 (E_RNA)
where:
Base-Base interactions energy: -245.131
where: short stacking energy: -105.471
Base-Backbone interact. energy: -1.166
local terms energy: -131.921841
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -21.215
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: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -371.353106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.353106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.353106 (E_RNA)
where:
Base-Base interactions energy: -234.203
where: short stacking energy: -110.735
Base-Backbone interact. energy: -1.991
local terms energy: -135.892527
where:
bonds (distance) C4'-P energy: -31.985
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -22.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.734 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -321.165791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.165791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.165791 (E_RNA)
where:
Base-Base interactions energy: -196.314
where: short stacking energy: -75.048
Base-Backbone interact. energy: 1.579
local terms energy: -126.431077
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -299.792838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.792838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.792838 (E_RNA)
where:
Base-Base interactions energy: -188.335
where: short stacking energy: -87.575
Base-Backbone interact. energy: 4.028
local terms energy: -115.485926
where:
bonds (distance) C4'-P energy: -30.916
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -201.930237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.930237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.930237 (E_RNA)
where:
Base-Base interactions energy: -108.907
where: short stacking energy: -54.958
Base-Backbone interact. energy: -0.299
local terms energy: -92.724591
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -32.463
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: 4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -150.246976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.246976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.246976 (E_RNA)
where:
Base-Base interactions energy: -49.826
where: short stacking energy: -49.746
Base-Backbone interact. energy: -0.387
local terms energy: -100.034141
where:
bonds (distance) C4'-P energy: -31.436
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: 1.081
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: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -596.042679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.042679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.042679 (E_RNA)
where:
Base-Base interactions energy: -415.361
where: short stacking energy: -159.317
Base-Backbone interact. energy: -1.146
local terms energy: -179.535639
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -40.204
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -42.472
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: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -572.096652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.096652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.096652 (E_RNA)
where:
Base-Base interactions energy: -390.772
where: short stacking energy: -158.420
Base-Backbone interact. energy: 2.382
local terms energy: -183.706151
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -36.215
flat angles C4'-P-C4' energy: -37.191
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: -48.618
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: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -557.786565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.786565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.786565 (E_RNA)
where:
Base-Base interactions energy: -388.605
where: short stacking energy: -145.993
Base-Backbone interact. energy: -1.615
local terms energy: -167.566249
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -41.516
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: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -481.351579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.351579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.351579 (E_RNA)
where:
Base-Base interactions energy: -316.485
where: short stacking energy: -128.405
Base-Backbone interact. energy: -0.234
local terms energy: -164.632502
where:
bonds (distance) C4'-P energy: -35.505
bonds (distance) P-C4' energy: -43.416
flat angles C4'-P-C4' energy: -34.891
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -38.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -388.734027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.734027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.734027 (E_RNA)
where:
Base-Base interactions energy: -244.522
where: short stacking energy: -106.087
Base-Backbone interact. energy: -2.679
local terms energy: -141.532678
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -25.492
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: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -366.522884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.522884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.522884 (E_RNA)
where:
Base-Base interactions energy: -232.804
where: short stacking energy: -110.652
Base-Backbone interact. energy: -2.877
local terms energy: -130.841129
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -37.742
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -340.033473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.033473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.033473 (E_RNA)
where:
Base-Base interactions energy: -218.455
where: short stacking energy: -99.383
Base-Backbone interact. energy: -1.497
local terms energy: -120.081958
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -36.183
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -17.923
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: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -301.260833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.260833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.260833 (E_RNA)
where:
Base-Base interactions energy: -177.460
where: short stacking energy: -77.025
Base-Backbone interact. energy: -1.257
local terms energy: -123.017006
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.473 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -246.360985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.360985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.360985 (E_RNA)
where:
Base-Base interactions energy: -140.951
where: short stacking energy: -73.612
Base-Backbone interact. energy: -1.374
local terms energy: -104.036554
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -21.962
tors. eta vs tors. theta energy: 3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -184.725382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.725382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.725382 (E_RNA)
where:
Base-Base interactions energy: -90.849
where: short stacking energy: -57.719
Base-Backbone interact. energy: -1.565
local terms energy: -92.311522
where:
bonds (distance) C4'-P energy: -26.219
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -16.297
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: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -596.097109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.097109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.097109 (E_RNA)
where:
Base-Base interactions energy: -415.118
where: short stacking energy: -163.012
Base-Backbone interact. energy: -2.022
local terms energy: -178.957095
where:
bonds (distance) C4'-P energy: -30.858
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -28.999
tors. eta vs tors. theta energy: -47.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -577.904322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.904322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.904322 (E_RNA)
where:
Base-Base interactions energy: -396.752
where: short stacking energy: -156.097
Base-Backbone interact. energy: -1.362
local terms energy: -179.789439
where:
bonds (distance) C4'-P energy: -30.275
bonds (distance) P-C4' energy: -40.762
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -45.235
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: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -555.274802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.274802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.274802 (E_RNA)
where:
Base-Base interactions energy: -376.213
where: short stacking energy: -157.362
Base-Backbone interact. energy: -1.287
local terms energy: -177.775074
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -41.351
flat angles C4'-P-C4' energy: -36.072
flat angles P-C4'-P energy: -25.421
tors. eta vs tors. theta energy: -44.375
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -405.380571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.380571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.380571 (E_RNA)
where:
Base-Base interactions energy: -261.891
where: short stacking energy: -116.906
Base-Backbone interact. energy: -0.423
local terms energy: -143.066249
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -33.142
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -22.877
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: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -491.874284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.874284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.874284 (E_RNA)
where:
Base-Base interactions energy: -331.201
where: short stacking energy: -140.607
Base-Backbone interact. energy: -0.721
local terms energy: -159.952721
where:
bonds (distance) C4'-P energy: -33.098
bonds (distance) P-C4' energy: -31.947
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -39.670
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: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -335.441844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.441844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.441844 (E_RNA)
where:
Base-Base interactions energy: -198.835
where: short stacking energy: -99.331
Base-Backbone interact. energy: 0.883
local terms energy: -137.490050
where:
bonds (distance) C4'-P energy: -32.220
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -23.963
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: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -338.723231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.723231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.723231 (E_RNA)
where:
Base-Base interactions energy: -193.549
where: short stacking energy: -95.076
Base-Backbone interact. energy: 1.126
local terms energy: -146.301109
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -35.874
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -322.039876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.039876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.039876 (E_RNA)
where:
Base-Base interactions energy: -184.609
where: short stacking energy: -93.143
Base-Backbone interact. energy: -0.990
local terms energy: -136.441409
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -264.328528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.328528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.328528 (E_RNA)
where:
Base-Base interactions energy: -149.402
where: short stacking energy: -79.716
Base-Backbone interact. energy: -0.910
local terms energy: -115.650376
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -22.561
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: 1.634 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -175.471438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.471438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.471438 (E_RNA)
where:
Base-Base interactions energy: -86.828
where: short stacking energy: -46.432
Base-Backbone interact. energy: -0.646
local terms energy: -87.996821
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -30.169
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -591.174069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.174069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.174069 (E_RNA)
where:
Base-Base interactions energy: -408.427
where: short stacking energy: -161.682
Base-Backbone interact. energy: 0.156
local terms energy: -182.903460
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -39.197
flat angles C4'-P-C4' energy: -38.811
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -42.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -575.447805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.447805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.447805 (E_RNA)
where:
Base-Base interactions energy: -402.937
where: short stacking energy: -154.562
Base-Backbone interact. energy: 0.982
local terms energy: -173.492367
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -37.201
flat angles C4'-P-C4' energy: -33.984
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -44.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -551.934505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.934505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.934505 (E_RNA)
where:
Base-Base interactions energy: -377.444
where: short stacking energy: -161.549
Base-Backbone interact. energy: -1.968
local terms energy: -172.522615
where:
bonds (distance) C4'-P energy: -31.676
bonds (distance) P-C4' energy: -39.855
flat angles C4'-P-C4' energy: -36.810
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -46.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -400.252559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.252559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.252559 (E_RNA)
where:
Base-Base interactions energy: -246.980
where: short stacking energy: -115.231
Base-Backbone interact. energy: 0.283
local terms energy: -153.556084
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -38.607
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -485.521358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.521358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.521358 (E_RNA)
where:
Base-Base interactions energy: -314.603
where: short stacking energy: -139.106
Base-Backbone interact. energy: 0.388
local terms energy: -171.822513
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -22.766
tors. eta vs tors. theta energy: -46.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.516 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -338.583334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.583334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.583334 (E_RNA)
where:
Base-Base interactions energy: -205.823
where: short stacking energy: -88.691
Base-Backbone interact. energy: -0.374
local terms energy: -132.386481
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -10.075
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: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -341.447734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.447734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.447734 (E_RNA)
where:
Base-Base interactions energy: -205.853
where: short stacking energy: -88.920
Base-Backbone interact. energy: -0.464
local terms energy: -135.130816
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -24.750
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: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -302.795132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.795132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.795132 (E_RNA)
where:
Base-Base interactions energy: -175.075
where: short stacking energy: -86.674
Base-Backbone interact. energy: -0.461
local terms energy: -127.259841
where:
bonds (distance) C4'-P energy: -32.163
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -268.697528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.697528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.697528 (E_RNA)
where:
Base-Base interactions energy: -151.652
where: short stacking energy: -75.240
Base-Backbone interact. energy: -1.021
local terms energy: -116.554702
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.531 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -175.205865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.205865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.205865 (E_RNA)
where:
Base-Base interactions energy: -72.530
where: short stacking energy: -44.707
Base-Backbone interact. energy: 0.826
local terms energy: -103.502000
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -24.973
flat angles C4'-P-C4' energy: -26.438
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -1.698
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: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -594.479772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.479772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.479772 (E_RNA)
where:
Base-Base interactions energy: -421.130
where: short stacking energy: -164.208
Base-Backbone interact. energy: -0.765
local terms energy: -172.584494
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -30.057
tors. eta vs tors. theta energy: -44.816
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: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -573.912551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.912551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.912551 (E_RNA)
where:
Base-Base interactions energy: -393.681
where: short stacking energy: -153.859
Base-Backbone interact. energy: -1.154
local terms energy: -179.077435
where:
bonds (distance) C4'-P energy: -34.185
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -38.852
flat angles P-C4'-P energy: -26.389
tors. eta vs tors. theta energy: -46.380
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: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -568.482887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.482887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.482887 (E_RNA)
where:
Base-Base interactions energy: -394.468
where: short stacking energy: -154.621
Base-Backbone interact. energy: -0.746
local terms energy: -173.269343
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -33.909
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -51.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -488.137303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.137303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.137303 (E_RNA)
where:
Base-Base interactions energy: -317.350
where: short stacking energy: -125.575
Base-Backbone interact. energy: -1.198
local terms energy: -169.794268
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -39.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.205 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -351.116503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.116503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.116503 (E_RNA)
where:
Base-Base interactions energy: -205.037
where: short stacking energy: -107.457
Base-Backbone interact. energy: 0.029
local terms energy: -146.108687
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -329.074975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.074975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.074975 (E_RNA)
where:
Base-Base interactions energy: -200.934
where: short stacking energy: -97.724
Base-Backbone interact. energy: -0.517
local terms energy: -127.623907
where:
bonds (distance) C4'-P energy: -30.151
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -348.289694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.289694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.289694 (E_RNA)
where:
Base-Base interactions energy: -210.124
where: short stacking energy: -90.610
Base-Backbone interact. energy: 0.246
local terms energy: -138.410948
where:
bonds (distance) C4'-P energy: -38.867
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -24.156
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: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -341.008880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.008880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.008880 (E_RNA)
where:
Base-Base interactions energy: -226.175
where: short stacking energy: -92.830
Base-Backbone interact. energy: -0.094
local terms energy: -114.739447
where:
bonds (distance) C4'-P energy: -28.818
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -14.609
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -272.018560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.018560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.018560 (E_RNA)
where:
Base-Base interactions energy: -155.429
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.703
local terms energy: -115.886541
where:
bonds (distance) C4'-P energy: -28.157
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -34.154
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -162.189136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.189136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.189136 (E_RNA)
where:
Base-Base interactions energy: -56.084
where: short stacking energy: -49.060
Base-Backbone interact. energy: -0.554
local terms energy: -105.551586
where:
bonds (distance) C4'-P energy: -34.164
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -592.351743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.351743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.351743 (E_RNA)
where:
Base-Base interactions energy: -411.823
where: short stacking energy: -153.072
Base-Backbone interact. energy: -0.231
local terms energy: -180.298146
where:
bonds (distance) C4'-P energy: -34.474
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -40.819
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -47.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -590.137874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.137874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.137874 (E_RNA)
where:
Base-Base interactions energy: -400.703
where: short stacking energy: -167.093
Base-Backbone interact. energy: -0.750
local terms energy: -188.685013
where:
bonds (distance) C4'-P energy: -38.352
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -41.214
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -44.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -569.015927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.015927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.015927 (E_RNA)
where:
Base-Base interactions energy: -384.408
where: short stacking energy: -153.291
Base-Backbone interact. energy: -3.400
local terms energy: -181.207734
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -33.771
flat angles C4'-P-C4' energy: -39.637
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -44.636
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: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -488.638792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.638792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.638792 (E_RNA)
where:
Base-Base interactions energy: -322.121
where: short stacking energy: -136.197
Base-Backbone interact. energy: -0.470
local terms energy: -166.048105
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -35.379
flat angles C4'-P-C4' energy: -33.781
flat angles P-C4'-P energy: -30.130
tors. eta vs tors. theta energy: -35.884
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: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -348.067378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.067378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.067378 (E_RNA)
where:
Base-Base interactions energy: -208.588
where: short stacking energy: -100.888
Base-Backbone interact. energy: -1.994
local terms energy: -137.485932
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -40.401
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -22.875
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: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -331.332080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.332080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.332080 (E_RNA)
where:
Base-Base interactions energy: -200.150
where: short stacking energy: -102.680
Base-Backbone interact. energy: -1.122
local terms energy: -130.059714
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -37.878
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -321.624014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.624014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.624014 (E_RNA)
where:
Base-Base interactions energy: -185.033
where: short stacking energy: -81.117
Base-Backbone interact. energy: -0.868
local terms energy: -135.723037
where:
bonds (distance) C4'-P energy: -35.357
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -320.258579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.258579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.258579 (E_RNA)
where:
Base-Base interactions energy: -185.359
where: short stacking energy: -82.222
Base-Backbone interact. energy: -0.613
local terms energy: -134.287049
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -18.101
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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -273.487349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.487349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.487349 (E_RNA)
where:
Base-Base interactions energy: -155.067
where: short stacking energy: -65.649
Base-Backbone interact. energy: 3.428
local terms energy: -121.849116
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -32.836
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -163.391356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.391356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.391356 (E_RNA)
where:
Base-Base interactions energy: -67.523
where: short stacking energy: -51.383
Base-Backbone interact. energy: 0.214
local terms energy: -97.203222
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -35.321
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -12.059
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: 1.121 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -598.382634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.382634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.382634 (E_RNA)
where:
Base-Base interactions energy: -421.149
where: short stacking energy: -165.432
Base-Backbone interact. energy: 1.047
local terms energy: -178.280175
where:
bonds (distance) C4'-P energy: -37.138
bonds (distance) P-C4' energy: -39.232
flat angles C4'-P-C4' energy: -32.376
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -43.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -576.209465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.209465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.209465 (E_RNA)
where:
Base-Base interactions energy: -396.755
where: short stacking energy: -165.231
Base-Backbone interact. energy: -1.658
local terms energy: -177.796562
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -36.685
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -28.484
tors. eta vs tors. theta energy: -45.032
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: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -561.321501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.321501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.321501 (E_RNA)
where:
Base-Base interactions energy: -386.526
where: short stacking energy: -157.933
Base-Backbone interact. energy: -1.646
local terms energy: -173.150034
where:
bonds (distance) C4'-P energy: -30.265
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -43.083
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: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -478.494884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.494884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.494884 (E_RNA)
where:
Base-Base interactions energy: -328.233
where: short stacking energy: -124.567
Base-Backbone interact. energy: -1.516
local terms energy: -148.746822
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -29.703
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: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -393.497069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.497069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.497069 (E_RNA)
where:
Base-Base interactions energy: -252.136
where: short stacking energy: -117.591
Base-Backbone interact. energy: -0.393
local terms energy: -140.968368
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -34.100
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -325.204795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.204795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.204795 (E_RNA)
where:
Base-Base interactions energy: -196.695
where: short stacking energy: -88.389
Base-Backbone interact. energy: -1.466
local terms energy: -127.633778
where:
bonds (distance) C4'-P energy: -28.791
bonds (distance) P-C4' energy: -36.557
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.590 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -312.098896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.098896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.098896 (E_RNA)
where:
Base-Base interactions energy: -191.195
where: short stacking energy: -86.236
Base-Backbone interact. energy: -1.332
local terms energy: -119.572035
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -24.682
tors. eta vs tors. theta energy: -19.848
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: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -315.933169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.933169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.933169 (E_RNA)
where:
Base-Base interactions energy: -176.085
where: short stacking energy: -78.873
Base-Backbone interact. energy: -1.010
local terms energy: -138.838667
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -25.212
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: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -243.479503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.479503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.479503 (E_RNA)
where:
Base-Base interactions energy: -125.642
where: short stacking energy: -59.180
Base-Backbone interact. energy: -0.858
local terms energy: -117.494404
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.515 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -185.043733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.043733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.043733 (E_RNA)
where:
Base-Base interactions energy: -82.370
where: short stacking energy: -46.854
Base-Backbone interact. energy: -0.413
local terms energy: -102.260860
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -34.427
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: 6.462
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: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -596.767755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.767755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.767755 (E_RNA)
where:
Base-Base interactions energy: -422.278
where: short stacking energy: -156.095
Base-Backbone interact. energy: -0.670
local terms energy: -173.819703
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -38.313
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -42.451
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: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -580.312646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.312646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.312646 (E_RNA)
where:
Base-Base interactions energy: -400.653
where: short stacking energy: -150.665
Base-Backbone interact. energy: -0.970
local terms energy: -178.689777
where:
bonds (distance) C4'-P energy: -36.249
bonds (distance) P-C4' energy: -39.113
flat angles C4'-P-C4' energy: -36.392
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -43.308
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: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -572.330697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.330697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.330697 (E_RNA)
where:
Base-Base interactions energy: -402.426
where: short stacking energy: -163.219
Base-Backbone interact. energy: -1.432
local terms energy: -168.473194
where:
bonds (distance) C4'-P energy: -37.182
bonds (distance) P-C4' energy: -30.431
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -46.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -477.159205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.159205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.159205 (E_RNA)
where:
Base-Base interactions energy: -313.060
where: short stacking energy: -132.442
Base-Backbone interact. energy: -0.105
local terms energy: -163.994315
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -35.819
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -36.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -355.492934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.492934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.492934 (E_RNA)
where:
Base-Base interactions energy: -207.645
where: short stacking energy: -110.044
Base-Backbone interact. energy: -0.885
local terms energy: -146.963273
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -29.514
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: -26.911
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: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -325.893185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.893185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.893185 (E_RNA)
where:
Base-Base interactions energy: -189.247
where: short stacking energy: -100.544
Base-Backbone interact. energy: -1.317
local terms energy: -135.328972
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -31.789
flat angles P-C4'-P energy: -22.333
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -327.707512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.707512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.707512 (E_RNA)
where:
Base-Base interactions energy: -209.022
where: short stacking energy: -100.742
Base-Backbone interact. energy: -0.622
local terms energy: -118.063137
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -11.702
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: 170
Temperature: 1.250000
Total energy: -306.970817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.970817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.970817 (E_RNA)
where:
Base-Base interactions energy: -180.839
where: short stacking energy: -86.680
Base-Backbone interact. energy: -0.029
local terms energy: -126.674771
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -13.369
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: 0.572 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -230.705410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.705410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.705410 (E_RNA)
where:
Base-Base interactions energy: -115.203
where: short stacking energy: -69.688
Base-Backbone interact. energy: 2.024
local terms energy: -117.526152
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -241.261328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.261328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.261328 (E_RNA)
where:
Base-Base interactions energy: -134.507
where: short stacking energy: -67.530
Base-Backbone interact. energy: 0.839
local terms energy: -107.593138
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -36.761
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -3.602
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: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -575.519541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.519541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.519541 (E_RNA)
where:
Base-Base interactions energy: -404.485
where: short stacking energy: -163.266
Base-Backbone interact. energy: -0.906
local terms energy: -170.128628
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -37.335
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -42.159
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -576.312432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.312432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.312432 (E_RNA)
where:
Base-Base interactions energy: -391.749
where: short stacking energy: -156.478
Base-Backbone interact. energy: -0.412
local terms energy: -184.151310
where:
bonds (distance) C4'-P energy: -36.594
bonds (distance) P-C4' energy: -36.713
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -24.795
tors. eta vs tors. theta energy: -45.697
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: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -575.485582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.485582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.485582 (E_RNA)
where:
Base-Base interactions energy: -401.975
where: short stacking energy: -168.319
Base-Backbone interact. energy: -3.250
local terms energy: -170.261248
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -34.296
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -43.959
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: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -478.619566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.619566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.619566 (E_RNA)
where:
Base-Base interactions energy: -320.526
where: short stacking energy: -126.458
Base-Backbone interact. energy: -0.972
local terms energy: -157.121821
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -30.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -365.763166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.763166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.763166 (E_RNA)
where:
Base-Base interactions energy: -213.361
where: short stacking energy: -107.300
Base-Backbone interact. energy: -0.597
local terms energy: -152.253264
where:
bonds (distance) C4'-P energy: -32.045
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -29.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.447 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -328.460115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.460115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.460115 (E_RNA)
where:
Base-Base interactions energy: -185.784
where: short stacking energy: -93.483
Base-Backbone interact. energy: 0.686
local terms energy: -143.783986
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -26.363
flat angles C4'-P-C4' energy: -41.511
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -300.422567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.422567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.422567 (E_RNA)
where:
Base-Base interactions energy: -170.119
where: short stacking energy: -72.761
Base-Backbone interact. energy: -1.181
local terms energy: -130.338958
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -40.797
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.216 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -298.734753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.734753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.734753 (E_RNA)
where:
Base-Base interactions energy: -168.573
where: short stacking energy: -76.062
Base-Backbone interact. energy: -1.490
local terms energy: -129.787185
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -40.989
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -9.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.116 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -258.954793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.954793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.954793 (E_RNA)
where:
Base-Base interactions energy: -140.312
where: short stacking energy: -58.729
Base-Backbone interact. energy: -1.719
local terms energy: -116.924162
where:
bonds (distance) C4'-P energy: -38.561
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -0.179
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: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -272.170388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.170388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.170388 (E_RNA)
where:
Base-Base interactions energy: -155.146
where: short stacking energy: -77.618
Base-Backbone interact. energy: -0.709
local terms energy: -116.315498
where:
bonds (distance) C4'-P energy: -22.866
bonds (distance) P-C4' energy: -37.024
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -583.921119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.921119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.921119 (E_RNA)
where:
Base-Base interactions energy: -400.308
where: short stacking energy: -158.161
Base-Backbone interact. energy: 0.179
local terms energy: -183.791669
where:
bonds (distance) C4'-P energy: -33.934
bonds (distance) P-C4' energy: -36.970
flat angles C4'-P-C4' energy: -38.655
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -48.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -586.523940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.523940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.523940 (E_RNA)
where:
Base-Base interactions energy: -402.966
where: short stacking energy: -162.143
Base-Backbone interact. energy: -0.486
local terms energy: -183.071514
where:
bonds (distance) C4'-P energy: -35.936
bonds (distance) P-C4' energy: -37.473
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -44.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -555.188440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.188440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.188440 (E_RNA)
where:
Base-Base interactions energy: -379.553
where: short stacking energy: -147.534
Base-Backbone interact. energy: -1.528
local terms energy: -174.107057
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: -39.268
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: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -469.524891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.524891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.524891 (E_RNA)
where:
Base-Base interactions energy: -315.570
where: short stacking energy: -137.953
Base-Backbone interact. energy: 0.520
local terms energy: -154.474213
where:
bonds (distance) C4'-P energy: -36.975
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -33.975
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -36.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -346.694947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.694947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.694947 (E_RNA)
where:
Base-Base interactions energy: -201.235
where: short stacking energy: -97.951
Base-Backbone interact. energy: -1.056
local terms energy: -144.404607
where:
bonds (distance) C4'-P energy: -29.660
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -25.237
tors. eta vs tors. theta energy: -22.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -346.177309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.177309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.177309 (E_RNA)
where:
Base-Base interactions energy: -217.609
where: short stacking energy: -93.638
Base-Backbone interact. energy: -0.850
local terms energy: -127.718270
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -34.904
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -15.470
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: 172
Temperature: 1.200000
Total energy: -310.840466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.840466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.840466 (E_RNA)
where:
Base-Base interactions energy: -172.494
where: short stacking energy: -78.697
Base-Backbone interact. energy: -2.737
local terms energy: -135.609226
where:
bonds (distance) C4'-P energy: -33.737
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -35.707
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -12.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -292.452542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.452542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.452542 (E_RNA)
where:
Base-Base interactions energy: -168.671
where: short stacking energy: -75.480
Base-Backbone interact. energy: 0.444
local terms energy: -124.737299
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -33.754
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -25.150
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.511 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -281.313045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.313045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.313045 (E_RNA)
where:
Base-Base interactions energy: -153.620
where: short stacking energy: -81.755
Base-Backbone interact. energy: -1.571
local terms energy: -126.122510
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -38.540
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -225.060043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.060043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.060043 (E_RNA)
where:
Base-Base interactions energy: -107.286
where: short stacking energy: -42.931
Base-Backbone interact. energy: 4.092
local terms energy: -121.866642
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -37.069
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -580.185217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.185217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.185217 (E_RNA)
where:
Base-Base interactions energy: -392.636
where: short stacking energy: -150.939
Base-Backbone interact. energy: -1.113
local terms energy: -186.436117
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -42.405
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -41.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -568.283448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.283448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.283448 (E_RNA)
where:
Base-Base interactions energy: -404.814
where: short stacking energy: -161.792
Base-Backbone interact. energy: -0.906
local terms energy: -162.563386
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -37.598
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -42.633
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: 173
Temperature: 1.000000
Total energy: -558.675444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.675444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.675444 (E_RNA)
where:
Base-Base interactions energy: -388.009
where: short stacking energy: -163.061
Base-Backbone interact. energy: -1.570
local terms energy: -169.095845
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -40.189
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -45.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -485.104368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.104368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.104368 (E_RNA)
where:
Base-Base interactions energy: -330.574
where: short stacking energy: -141.631
Base-Backbone interact. energy: -0.264
local terms energy: -154.266498
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -42.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -360.791237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.791237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.791237 (E_RNA)
where:
Base-Base interactions energy: -216.349
where: short stacking energy: -117.280
Base-Backbone interact. energy: -0.244
local terms energy: -144.197833
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -25.240
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -325.301754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.301754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.301754 (E_RNA)
where:
Base-Base interactions energy: -202.394
where: short stacking energy: -99.679
Base-Backbone interact. energy: -0.382
local terms energy: -122.525246
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -17.770
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: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -309.719316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.719316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.719316 (E_RNA)
where:
Base-Base interactions energy: -185.576
where: short stacking energy: -89.533
Base-Backbone interact. energy: 0.738
local terms energy: -124.881185
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -315.887729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.887729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.887729 (E_RNA)
where:
Base-Base interactions energy: -195.427
where: short stacking energy: -86.063
Base-Backbone interact. energy: -1.203
local terms energy: -119.257781
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -35.246
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -13.972
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: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -232.868712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.868712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.868712 (E_RNA)
where:
Base-Base interactions energy: -121.452
where: short stacking energy: -69.775
Base-Backbone interact. energy: 2.536
local terms energy: -113.952513
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -28.961
flat angles C4'-P-C4' energy: -34.748
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -218.162213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.162213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.162213 (E_RNA)
where:
Base-Base interactions energy: -114.085
where: short stacking energy: -64.414
Base-Backbone interact. energy: -0.805
local terms energy: -103.272174
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -589.819505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.819505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.819505 (E_RNA)
where:
Base-Base interactions energy: -406.730
where: short stacking energy: -157.222
Base-Backbone interact. energy: -0.418
local terms energy: -182.671576
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -38.417
flat angles C4'-P-C4' energy: -34.290
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -46.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -551.801780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.801780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.801780 (E_RNA)
where:
Base-Base interactions energy: -387.320
where: short stacking energy: -153.446
Base-Backbone interact. energy: -0.549
local terms energy: -163.933199
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -38.267
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -38.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -553.711939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.711939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.711939 (E_RNA)
where:
Base-Base interactions energy: -372.180
where: short stacking energy: -161.292
Base-Backbone interact. energy: -1.858
local terms energy: -179.673677
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -46.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -476.760501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.760501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.760501 (E_RNA)
where:
Base-Base interactions energy: -333.260
where: short stacking energy: -130.787
Base-Backbone interact. energy: -0.660
local terms energy: -142.839772
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -388.455984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.455984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.455984 (E_RNA)
where:
Base-Base interactions energy: -249.584
where: short stacking energy: -100.386
Base-Backbone interact. energy: -0.669
local terms energy: -138.202677
where:
bonds (distance) C4'-P energy: -32.306
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -341.397047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.397047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.397047 (E_RNA)
where:
Base-Base interactions energy: -213.840
where: short stacking energy: -100.938
Base-Backbone interact. energy: -0.555
local terms energy: -131.571610
where:
bonds (distance) C4'-P energy: -31.468
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -37.049
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.569 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -316.220668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.220668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.220668 (E_RNA)
where:
Base-Base interactions energy: -189.225
where: short stacking energy: -85.611
Base-Backbone interact. energy: 0.316
local terms energy: -127.311705
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -38.826
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -284.614494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.614494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.614494 (E_RNA)
where:
Base-Base interactions energy: -158.142
where: short stacking energy: -72.741
Base-Backbone interact. energy: 0.007
local terms energy: -126.479407
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -37.123
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -225.238348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.238348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.238348 (E_RNA)
where:
Base-Base interactions energy: -109.037
where: short stacking energy: -62.373
Base-Backbone interact. energy: -2.042
local terms energy: -114.159231
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -11.111
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: 174
Temperature: 1.350000
Total energy: -223.647577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.647577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.647577 (E_RNA)
where:
Base-Base interactions energy: -114.988
where: short stacking energy: -75.717
Base-Backbone interact. energy: -0.514
local terms energy: -108.145362
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: 3.542
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: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -585.038342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.038342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.038342 (E_RNA)
where:
Base-Base interactions energy: -399.584
where: short stacking energy: -156.197
Base-Backbone interact. energy: -1.002
local terms energy: -184.452325
where:
bonds (distance) C4'-P energy: -37.634
bonds (distance) P-C4' energy: -40.486
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -48.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -558.259816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.259816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.259816 (E_RNA)
where:
Base-Base interactions energy: -383.603
where: short stacking energy: -156.117
Base-Backbone interact. energy: -0.818
local terms energy: -173.838605
where:
bonds (distance) C4'-P energy: -32.475
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -34.623
flat angles P-C4'-P energy: -26.037
tors. eta vs tors. theta energy: -45.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -541.725771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.725771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.725771 (E_RNA)
where:
Base-Base interactions energy: -384.369
where: short stacking energy: -147.437
Base-Backbone interact. energy: -0.552
local terms energy: -156.804230
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -40.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -478.969762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.969762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.969762 (E_RNA)
where:
Base-Base interactions energy: -322.742
where: short stacking energy: -133.152
Base-Backbone interact. energy: 0.030
local terms energy: -156.257678
where:
bonds (distance) C4'-P energy: -35.671
bonds (distance) P-C4' energy: -31.315
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -30.719
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: 175
Temperature: 1.100000
Total energy: -399.211518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.211518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.211518 (E_RNA)
where:
Base-Base interactions energy: -246.604
where: short stacking energy: -117.510
Base-Backbone interact. energy: -0.479
local terms energy: -152.128917
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -37.125
flat angles P-C4'-P energy: -27.179
tors. eta vs tors. theta energy: -24.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -351.984022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.984022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.984022 (E_RNA)
where:
Base-Base interactions energy: -231.506
where: short stacking energy: -106.516
Base-Backbone interact. energy: -0.692
local terms energy: -119.785699
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -25.798
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -19.640
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: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -339.371595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.371595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.371595 (E_RNA)
where:
Base-Base interactions energy: -205.716
where: short stacking energy: -105.602
Base-Backbone interact. energy: -1.549
local terms energy: -132.106284
where:
bonds (distance) C4'-P energy: -32.322
bonds (distance) P-C4' energy: -26.947
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -302.063694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.063694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.063694 (E_RNA)
where:
Base-Base interactions energy: -182.279
where: short stacking energy: -84.405
Base-Backbone interact. energy: -0.608
local terms energy: -119.176779
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -39.502
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -243.771630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.771630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.771630 (E_RNA)
where:
Base-Base interactions energy: -121.822
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.558
local terms energy: -123.899443
where:
bonds (distance) C4'-P energy: -34.976
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.508 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -226.560880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.560880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.560880 (E_RNA)
where:
Base-Base interactions energy: -111.312
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.831
local terms energy: -114.417404
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -26.179
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: -2.558
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: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -577.977552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.977552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.977552 (E_RNA)
where:
Base-Base interactions energy: -385.886
where: short stacking energy: -159.298
Base-Backbone interact. energy: -0.208
local terms energy: -191.883757
where:
bonds (distance) C4'-P energy: -40.693
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: -48.684
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: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -590.024273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.024273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.024273 (E_RNA)
where:
Base-Base interactions energy: -404.096
where: short stacking energy: -170.999
Base-Backbone interact. energy: -0.730
local terms energy: -185.197498
where:
bonds (distance) C4'-P energy: -35.067
bonds (distance) P-C4' energy: -40.107
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -51.402
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: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -556.003643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.003643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.003643 (E_RNA)
where:
Base-Base interactions energy: -377.159
where: short stacking energy: -151.618
Base-Backbone interact. energy: -1.667
local terms energy: -177.177522
where:
bonds (distance) C4'-P energy: -33.265
bonds (distance) P-C4' energy: -32.288
flat angles C4'-P-C4' energy: -43.248
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -45.753
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: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -493.801414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.801414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.801414 (E_RNA)
where:
Base-Base interactions energy: -320.962
where: short stacking energy: -133.130
Base-Backbone interact. energy: -0.026
local terms energy: -172.814102
where:
bonds (distance) C4'-P energy: -37.377
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -38.782
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -36.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -415.823366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.823366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.823366 (E_RNA)
where:
Base-Base interactions energy: -252.706
where: short stacking energy: -105.600
Base-Backbone interact. energy: -0.366
local terms energy: -162.751110
where:
bonds (distance) C4'-P energy: -41.065
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -38.818
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -29.586
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: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -362.088288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.088288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.088288 (E_RNA)
where:
Base-Base interactions energy: -222.764
where: short stacking energy: -103.107
Base-Backbone interact. energy: -1.043
local terms energy: -138.281276
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -28.629
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: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -333.218933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.218933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.218933 (E_RNA)
where:
Base-Base interactions energy: -198.785
where: short stacking energy: -97.595
Base-Backbone interact. energy: -0.644
local terms energy: -133.790564
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -37.456
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -331.181478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.181478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.181478 (E_RNA)
where:
Base-Base interactions energy: -193.248
where: short stacking energy: -90.391
Base-Backbone interact. energy: 0.467
local terms energy: -138.400662
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -223.530456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.530456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.530456 (E_RNA)
where:
Base-Base interactions energy: -120.928
where: short stacking energy: -60.730
Base-Backbone interact. energy: 0.948
local terms energy: -103.550248
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -35.277
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: 2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -238.365189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.365189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.365189 (E_RNA)
where:
Base-Base interactions energy: -130.510
where: short stacking energy: -67.030
Base-Backbone interact. energy: 1.375
local terms energy: -109.230063
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -37.593
flat angles P-C4'-P energy: -15.705
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: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -562.385784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.385784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.385784 (E_RNA)
where:
Base-Base interactions energy: -378.274
where: short stacking energy: -168.048
Base-Backbone interact. energy: -0.837
local terms energy: -183.274865
where:
bonds (distance) C4'-P energy: -37.799
bonds (distance) P-C4' energy: -39.087
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -46.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -580.994070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.994070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.994070 (E_RNA)
where:
Base-Base interactions energy: -392.130
where: short stacking energy: -150.676
Base-Backbone interact. energy: -0.262
local terms energy: -188.601996
where:
bonds (distance) C4'-P energy: -35.166
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -43.290
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: -48.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -540.014441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.014441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.014441 (E_RNA)
where:
Base-Base interactions energy: -376.173
where: short stacking energy: -145.966
Base-Backbone interact. energy: -0.672
local terms energy: -163.169925
where:
bonds (distance) C4'-P energy: -34.738
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -36.224
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -41.316
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: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -467.721142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.721142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.721142 (E_RNA)
where:
Base-Base interactions energy: -304.233
where: short stacking energy: -133.726
Base-Backbone interact. energy: -0.694
local terms energy: -162.794217
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -36.540
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -39.298
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: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -394.305159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.305159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.305159 (E_RNA)
where:
Base-Base interactions energy: -247.827
where: short stacking energy: -108.363
Base-Backbone interact. energy: -0.565
local terms energy: -145.913566
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -27.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -385.839091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.839091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.839091 (E_RNA)
where:
Base-Base interactions energy: -233.318
where: short stacking energy: -122.360
Base-Backbone interact. energy: 0.307
local terms energy: -152.861231
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.033 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -309.514346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.514346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.514346 (E_RNA)
where:
Base-Base interactions energy: -184.756
where: short stacking energy: -85.132
Base-Backbone interact. energy: -0.737
local terms energy: -124.271215
where:
bonds (distance) C4'-P energy: -33.323
bonds (distance) P-C4' energy: -40.804
flat angles C4'-P-C4' energy: -31.897
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.250 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -315.356806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.356806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.356806 (E_RNA)
where:
Base-Base interactions energy: -193.950
where: short stacking energy: -77.379
Base-Backbone interact. energy: -2.130
local terms energy: -119.276507
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -229.549311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.549311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.549311 (E_RNA)
where:
Base-Base interactions energy: -118.515
where: short stacking energy: -57.994
Base-Backbone interact. energy: 2.135
local terms energy: -113.169691
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -33.533
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -8.229
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: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -211.280897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.280897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.280897 (E_RNA)
where:
Base-Base interactions energy: -119.949
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.080
local terms energy: -91.251643
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -1.415
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: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -600.436985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.436985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.436985 (E_RNA)
where:
Base-Base interactions energy: -404.270
where: short stacking energy: -159.338
Base-Backbone interact. energy: -0.353
local terms energy: -195.813896
where:
bonds (distance) C4'-P energy: -39.087
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -49.117
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: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -541.769318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.769318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.769318 (E_RNA)
where:
Base-Base interactions energy: -368.735
where: short stacking energy: -154.213
Base-Backbone interact. energy: 0.030
local terms energy: -173.064869
where:
bonds (distance) C4'-P energy: -30.645
bonds (distance) P-C4' energy: -34.792
flat angles C4'-P-C4' energy: -37.427
flat angles P-C4'-P energy: -30.608
tors. eta vs tors. theta energy: -39.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -559.590216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.590216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.590216 (E_RNA)
where:
Base-Base interactions energy: -392.038
where: short stacking energy: -144.238
Base-Backbone interact. energy: 0.732
local terms energy: -168.284040
where:
bonds (distance) C4'-P energy: -35.026
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: -40.357
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: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -472.207654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.207654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.207654 (E_RNA)
where:
Base-Base interactions energy: -303.012
where: short stacking energy: -130.350
Base-Backbone interact. energy: -0.343
local terms energy: -168.852818
where:
bonds (distance) C4'-P energy: -32.844
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -43.012
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: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -389.027035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.027035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.027035 (E_RNA)
where:
Base-Base interactions energy: -227.505
where: short stacking energy: -105.540
Base-Backbone interact. energy: 0.757
local terms energy: -162.279002
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -38.999
flat angles C4'-P-C4' energy: -38.048
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -28.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -394.137807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.137807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.137807 (E_RNA)
where:
Base-Base interactions energy: -251.223
where: short stacking energy: -106.903
Base-Backbone interact. energy: -0.634
local terms energy: -142.280546
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -37.378
flat angles C4'-P-C4' energy: -36.972
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -24.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -304.984647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.984647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.984647 (E_RNA)
where:
Base-Base interactions energy: -175.593
where: short stacking energy: -94.988
Base-Backbone interact. energy: 0.836
local terms energy: -130.227897
where:
bonds (distance) C4'-P energy: -27.209
bonds (distance) P-C4' energy: -34.526
flat angles C4'-P-C4' energy: -38.775
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -295.042078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.042078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.042078 (E_RNA)
where:
Base-Base interactions energy: -161.824
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.704
local terms energy: -132.514120
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -25.386
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -246.781850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.781850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.781850 (E_RNA)
where:
Base-Base interactions energy: -130.252
where: short stacking energy: -49.281
Base-Backbone interact. energy: -1.059
local terms energy: -115.470675
where:
bonds (distance) C4'-P energy: -36.702
bonds (distance) P-C4' energy: -34.808
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -165.281131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.281131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.281131 (E_RNA)
where:
Base-Base interactions energy: -55.110
where: short stacking energy: -43.623
Base-Backbone interact. energy: -0.478
local terms energy: -109.693356
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -30.604
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -6.464
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: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -624.048055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.048055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.048055 (E_RNA)
where:
Base-Base interactions energy: -432.446
where: short stacking energy: -171.919
Base-Backbone interact. energy: -1.678
local terms energy: -189.924392
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -38.919
flat angles C4'-P-C4' energy: -43.443
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -48.472
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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -556.272739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.272739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.272739 (E_RNA)
where:
Base-Base interactions energy: -379.538
where: short stacking energy: -148.862
Base-Backbone interact. energy: -0.928
local terms energy: -175.805873
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -38.864
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -41.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -531.345950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.345950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.345950 (E_RNA)
where:
Base-Base interactions energy: -363.737
where: short stacking energy: -140.039
Base-Backbone interact. energy: -0.710
local terms energy: -166.899233
where:
bonds (distance) C4'-P energy: -33.946
bonds (distance) P-C4' energy: -33.266
flat angles C4'-P-C4' energy: -40.560
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -41.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -457.854776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.854776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.854776 (E_RNA)
where:
Base-Base interactions energy: -310.493
where: short stacking energy: -115.209
Base-Backbone interact. energy: -0.716
local terms energy: -146.646098
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -35.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -386.550086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.550086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.550086 (E_RNA)
where:
Base-Base interactions energy: -248.403
where: short stacking energy: -118.914
Base-Backbone interact. energy: -0.928
local terms energy: -137.218969
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -30.459
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -33.824
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: 179
Temperature: 1.150000
Total energy: -350.022417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.022417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.022417 (E_RNA)
where:
Base-Base interactions energy: -215.237
where: short stacking energy: -100.764
Base-Backbone interact. energy: -1.237
local terms energy: -133.548683
where:
bonds (distance) C4'-P energy: -34.859
bonds (distance) P-C4' energy: -31.137
flat angles C4'-P-C4' energy: -30.534
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -363.060558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.060558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.060558 (E_RNA)
where:
Base-Base interactions energy: -210.765
where: short stacking energy: -99.115
Base-Backbone interact. energy: -0.120
local terms energy: -152.409994
where:
bonds (distance) C4'-P energy: -33.134
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -34.225
flat angles P-C4'-P energy: -27.515
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.235 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -316.403618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.403618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.403618 (E_RNA)
where:
Base-Base interactions energy: -197.902
where: short stacking energy: -90.446
Base-Backbone interact. energy: -0.295
local terms energy: -118.207041
where:
bonds (distance) C4'-P energy: -32.859
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -15.649
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: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -276.787579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.787579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.787579 (E_RNA)
where:
Base-Base interactions energy: -172.361
where: short stacking energy: -74.916
Base-Backbone interact. energy: 0.907
local terms energy: -105.333446
where:
bonds (distance) C4'-P energy: -39.268
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -11.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -150.288147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.288147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.288147 (E_RNA)
where:
Base-Base interactions energy: -48.358
where: short stacking energy: -47.413
Base-Backbone interact. energy: 0.877
local terms energy: -102.807248
where:
bonds (distance) C4'-P energy: -37.013
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: 1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -589.757360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.757360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.757360 (E_RNA)
where:
Base-Base interactions energy: -404.683
where: short stacking energy: -163.703
Base-Backbone interact. energy: -0.726
local terms energy: -184.348369
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -40.058
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -49.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -564.905965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.905965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.905965 (E_RNA)
where:
Base-Base interactions energy: -399.844
where: short stacking energy: -152.392
Base-Backbone interact. energy: -0.139
local terms energy: -164.923141
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -32.787
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -49.257
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: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -528.552913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.552913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.552913 (E_RNA)
where:
Base-Base interactions energy: -369.071
where: short stacking energy: -136.118
Base-Backbone interact. energy: 0.765
local terms energy: -160.246984
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -39.982
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: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -477.797338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.797338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.797338 (E_RNA)
where:
Base-Base interactions energy: -315.292
where: short stacking energy: -128.968
Base-Backbone interact. energy: -0.521
local terms energy: -161.984663
where:
bonds (distance) C4'-P energy: -34.017
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -34.927
flat angles P-C4'-P energy: -19.294
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: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -385.860470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.860470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.860470 (E_RNA)
where:
Base-Base interactions energy: -227.616
where: short stacking energy: -102.281
Base-Backbone interact. energy: -2.296
local terms energy: -155.947963
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -36.902
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -29.449
tors. eta vs tors. theta energy: -18.049
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: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -342.110775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.110775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.110775 (E_RNA)
where:
Base-Base interactions energy: -219.502
where: short stacking energy: -102.927
Base-Backbone interact. energy: -1.080
local terms energy: -121.528486
where:
bonds (distance) C4'-P energy: -32.653
bonds (distance) P-C4' energy: -30.122
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -15.824
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: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -262.761384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.761384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.761384 (E_RNA)
where:
Base-Base interactions energy: -144.911
where: short stacking energy: -80.326
Base-Backbone interact. energy: -1.184
local terms energy: -116.667014
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -40.960
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -346.740552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.740552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.740552 (E_RNA)
where:
Base-Base interactions energy: -207.579
where: short stacking energy: -93.352
Base-Backbone interact. energy: 0.062
local terms energy: -139.222797
where:
bonds (distance) C4'-P energy: -28.924
bonds (distance) P-C4' energy: -35.291
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -23.029
tors. eta vs tors. theta energy: -20.949
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: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -301.498969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.498969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.498969 (E_RNA)
where:
Base-Base interactions energy: -185.406
where: short stacking energy: -94.831
Base-Backbone interact. energy: -1.139
local terms energy: -114.954293
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -34.615
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -14.761
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: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -168.727852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.727852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.727852 (E_RNA)
where:
Base-Base interactions energy: -65.610
where: short stacking energy: -49.675
Base-Backbone interact. energy: 0.480
local terms energy: -103.597552
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -3.245
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: 181
Temperature: 0.900000
Total energy: -589.208241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.208241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.208241 (E_RNA)
where:
Base-Base interactions energy: -408.795
where: short stacking energy: -156.190
Base-Backbone interact. energy: -0.615
local terms energy: -179.798510
where:
bonds (distance) C4'-P energy: -35.573
bonds (distance) P-C4' energy: -37.780
flat angles C4'-P-C4' energy: -38.074
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -42.554
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: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -534.483149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.483149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.483149 (E_RNA)
where:
Base-Base interactions energy: -358.030
where: short stacking energy: -146.338
Base-Backbone interact. energy: -1.306
local terms energy: -175.146871
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -36.248
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -39.368
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: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -553.936284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.936284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.936284 (E_RNA)
where:
Base-Base interactions energy: -391.326
where: short stacking energy: -159.965
Base-Backbone interact. energy: 0.456
local terms energy: -163.066678
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -38.517
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -42.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -433.807127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.807127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.807127 (E_RNA)
where:
Base-Base interactions energy: -274.496
where: short stacking energy: -115.700
Base-Backbone interact. energy: -0.552
local terms energy: -158.758633
where:
bonds (distance) C4'-P energy: -38.107
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -24.493
tors. eta vs tors. theta energy: -29.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -453.463264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.463264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.463264 (E_RNA)
where:
Base-Base interactions energy: -313.972
where: short stacking energy: -129.934
Base-Backbone interact. energy: -0.692
local terms energy: -138.799472
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -27.144
tors. eta vs tors. theta energy: -38.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -341.233699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.233699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.233699 (E_RNA)
where:
Base-Base interactions energy: -205.427
where: short stacking energy: -89.148
Base-Backbone interact. energy: -1.204
local terms energy: -134.602361
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -38.467
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -259.329539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.329539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.329539 (E_RNA)
where:
Base-Base interactions energy: -149.974
where: short stacking energy: -91.209
Base-Backbone interact. energy: 0.272
local terms energy: -109.902571
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -31.264
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.276 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -301.144465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.144465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.144465 (E_RNA)
where:
Base-Base interactions energy: -172.954
where: short stacking energy: -77.084
Base-Backbone interact. energy: -2.031
local terms energy: -126.159013
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -303.065124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.065124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.065124 (E_RNA)
where:
Base-Base interactions energy: -181.189
where: short stacking energy: -81.749
Base-Backbone interact. energy: -1.067
local terms energy: -120.809329
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -157.659459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.659459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.659459 (E_RNA)
where:
Base-Base interactions energy: -59.831
where: short stacking energy: -34.640
Base-Backbone interact. energy: -0.774
local terms energy: -97.055019
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: 6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -583.148838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.148838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.148838 (E_RNA)
where:
Base-Base interactions energy: -407.400
where: short stacking energy: -162.358
Base-Backbone interact. energy: -1.010
local terms energy: -174.738635
where:
bonds (distance) C4'-P energy: -33.833
bonds (distance) P-C4' energy: -30.585
flat angles C4'-P-C4' energy: -34.825
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -47.731
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: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -530.350334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.350334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.350334 (E_RNA)
where:
Base-Base interactions energy: -356.713
where: short stacking energy: -133.204
Base-Backbone interact. energy: -1.441
local terms energy: -172.196686
where:
bonds (distance) C4'-P energy: -35.291
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -39.472
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -38.644
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: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -548.316437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.316437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.316437 (E_RNA)
where:
Base-Base interactions energy: -375.946
where: short stacking energy: -151.614
Base-Backbone interact. energy: -0.870
local terms energy: -171.500387
where:
bonds (distance) C4'-P energy: -38.895
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -40.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -423.915723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.915723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.915723 (E_RNA)
where:
Base-Base interactions energy: -273.386
where: short stacking energy: -110.654
Base-Backbone interact. energy: -0.166
local terms energy: -151.597937
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -38.765
flat angles C4'-P-C4' energy: -34.116
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.235 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -384.057058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.057058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.057058 (E_RNA)
where:
Base-Base interactions energy: -237.566
where: short stacking energy: -101.691
Base-Backbone interact. energy: -0.101
local terms energy: -146.390213
where:
bonds (distance) C4'-P energy: -32.065
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -422.559440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.559440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.559440 (E_RNA)
where:
Base-Base interactions energy: -278.117
where: short stacking energy: -114.105
Base-Backbone interact. energy: -0.665
local terms energy: -143.777000
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -34.548
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -348.013041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.013041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.013041 (E_RNA)
where:
Base-Base interactions energy: -223.975
where: short stacking energy: -91.241
Base-Backbone interact. energy: -1.128
local terms energy: -122.910068
where:
bonds (distance) C4'-P energy: -29.729
bonds (distance) P-C4' energy: -31.658
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -249.783231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.783231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.783231 (E_RNA)
where:
Base-Base interactions energy: -126.854
where: short stacking energy: -67.376
Base-Backbone interact. energy: 2.993
local terms energy: -125.922407
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -288.824768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.824768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.824768 (E_RNA)
where:
Base-Base interactions energy: -174.115
where: short stacking energy: -81.246
Base-Backbone interact. energy: 3.284
local terms energy: -119.002062
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -35.297
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.009 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -172.571840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.571840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.571840 (E_RNA)
where:
Base-Base interactions energy: -62.415
where: short stacking energy: -53.328
Base-Backbone interact. energy: 0.744
local terms energy: -110.900642
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -28.482
flat angles P-C4'-P energy: -16.769
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: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -593.989070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.989070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.989070 (E_RNA)
where:
Base-Base interactions energy: -407.394
where: short stacking energy: -171.451
Base-Backbone interact. energy: -1.216
local terms energy: -185.379366
where:
bonds (distance) C4'-P energy: -40.307
bonds (distance) P-C4' energy: -34.324
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -27.813
tors. eta vs tors. theta energy: -51.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -580.839490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.839490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.839490 (E_RNA)
where:
Base-Base interactions energy: -401.820
where: short stacking energy: -162.494
Base-Backbone interact. energy: 0.621
local terms energy: -179.640589
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -36.747
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -28.610
tors. eta vs tors. theta energy: -45.952
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: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -532.125648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.125648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.125648 (E_RNA)
where:
Base-Base interactions energy: -377.308
where: short stacking energy: -149.045
Base-Backbone interact. energy: -0.141
local terms energy: -154.677090
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -35.317
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -34.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -417.162342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.162342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.162342 (E_RNA)
where:
Base-Base interactions energy: -257.527
where: short stacking energy: -114.844
Base-Backbone interact. energy: -0.844
local terms energy: -158.791831
where:
bonds (distance) C4'-P energy: -33.728
bonds (distance) P-C4' energy: -35.275
flat angles C4'-P-C4' energy: -39.070
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -29.420
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: 183
Temperature: 1.100000
Total energy: -402.051697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.051697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.051697 (E_RNA)
where:
Base-Base interactions energy: -270.103
where: short stacking energy: -116.250
Base-Backbone interact. energy: 0.173
local terms energy: -132.121733
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -33.721
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -388.790722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.790722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.790722 (E_RNA)
where:
Base-Base interactions energy: -247.528
where: short stacking energy: -107.392
Base-Backbone interact. energy: -0.532
local terms energy: -140.730366
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -34.862
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -311.223082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.223082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.223082 (E_RNA)
where:
Base-Base interactions energy: -183.370
where: short stacking energy: -87.788
Base-Backbone interact. energy: 1.036
local terms energy: -128.888836
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -31.790
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -311.607073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.607073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.607073 (E_RNA)
where:
Base-Base interactions energy: -176.847
where: short stacking energy: -87.646
Base-Backbone interact. energy: -1.507
local terms energy: -133.252895
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -35.735
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -14.310
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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -254.337193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.337193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.337193 (E_RNA)
where:
Base-Base interactions energy: -146.420
where: short stacking energy: -71.553
Base-Backbone interact. energy: -1.045
local terms energy: -106.871758
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -29.701
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -23.750
tors. eta vs tors. theta energy: -1.363
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: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -167.535086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.535086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.535086 (E_RNA)
where:
Base-Base interactions energy: -67.556
where: short stacking energy: -38.149
Base-Backbone interact. energy: 0.435
local terms energy: -100.414630
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -34.870
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: 3.208
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: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -575.681758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.681758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.681758 (E_RNA)
where:
Base-Base interactions energy: -386.918
where: short stacking energy: -165.839
Base-Backbone interact. energy: -2.646
local terms energy: -186.118324
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -31.780
tors. eta vs tors. theta energy: -46.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -569.332757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.332757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.332757 (E_RNA)
where:
Base-Base interactions energy: -390.441
where: short stacking energy: -154.258
Base-Backbone interact. energy: -0.540
local terms energy: -178.352329
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: -48.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -547.381977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.381977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.381977 (E_RNA)
where:
Base-Base interactions energy: -375.714
where: short stacking energy: -140.033
Base-Backbone interact. energy: -0.917
local terms energy: -170.750800
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -32.959
flat angles C4'-P-C4' energy: -36.236
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -40.281
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: 184
Temperature: 1.050000
Total energy: -384.493677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.493677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.493677 (E_RNA)
where:
Base-Base interactions energy: -235.108
where: short stacking energy: -108.283
Base-Backbone interact. energy: -1.061
local terms energy: -149.175768
where:
bonds (distance) C4'-P energy: -29.276
bonds (distance) P-C4' energy: -36.845
flat angles C4'-P-C4' energy: -39.942
flat angles P-C4'-P energy: -28.054
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: 0.851 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -403.300350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.300350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.300350 (E_RNA)
where:
Base-Base interactions energy: -260.319
where: short stacking energy: -116.522
Base-Backbone interact. energy: -0.566
local terms energy: -142.415105
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -361.864745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.864745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.864745 (E_RNA)
where:
Base-Base interactions energy: -222.176
where: short stacking energy: -101.254
Base-Backbone interact. energy: -0.696
local terms energy: -139.016196
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -31.165
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.024 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -327.411969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.411969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.411969 (E_RNA)
where:
Base-Base interactions energy: -200.087
where: short stacking energy: -82.692
Base-Backbone interact. energy: 3.758
local terms energy: -131.082952
where:
bonds (distance) C4'-P energy: -35.208
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -308.952174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.952174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.952174 (E_RNA)
where:
Base-Base interactions energy: -192.441
where: short stacking energy: -93.524
Base-Backbone interact. energy: -0.822
local terms energy: -115.688737
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -33.779
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -9.421
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: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -262.066837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.066837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.066837 (E_RNA)
where:
Base-Base interactions energy: -143.219
where: short stacking energy: -72.068
Base-Backbone interact. energy: -0.687
local terms energy: -118.161162
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -5.413
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: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -148.376343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.376343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.376343 (E_RNA)
where:
Base-Base interactions energy: -46.183
where: short stacking energy: -45.358
Base-Backbone interact. energy: -0.221
local terms energy: -103.801990
where:
bonds (distance) C4'-P energy: -30.782
bonds (distance) P-C4' energy: -26.742
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.830 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -587.484979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.484979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.484979 (E_RNA)
where:
Base-Base interactions energy: -411.720
where: short stacking energy: -167.013
Base-Backbone interact. energy: -1.348
local terms energy: -174.417016
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -36.447
flat angles C4'-P-C4' energy: -37.565
flat angles P-C4'-P energy: -25.853
tors. eta vs tors. theta energy: -48.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -580.689294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.689294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.689294 (E_RNA)
where:
Base-Base interactions energy: -396.066
where: short stacking energy: -157.572
Base-Backbone interact. energy: 0.177
local terms energy: -184.800943
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -37.687
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -48.667
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -549.975516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.975516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.975516 (E_RNA)
where:
Base-Base interactions energy: -372.337
where: short stacking energy: -136.733
Base-Backbone interact. energy: -0.780
local terms energy: -176.858951
where:
bonds (distance) C4'-P energy: -29.361
bonds (distance) P-C4' energy: -41.248
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -47.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -414.321590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.321590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.321590 (E_RNA)
where:
Base-Base interactions energy: -250.716
where: short stacking energy: -121.740
Base-Backbone interact. energy: -1.265
local terms energy: -162.341432
where:
bonds (distance) C4'-P energy: -38.084
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -38.181
flat angles P-C4'-P energy: -20.430
tors. eta vs tors. theta energy: -31.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -364.039303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.039303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.039303 (E_RNA)
where:
Base-Base interactions energy: -227.524
where: short stacking energy: -91.914
Base-Backbone interact. energy: -0.245
local terms energy: -136.269735
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -387.095402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.095402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.095402 (E_RNA)
where:
Base-Base interactions energy: -244.748
where: short stacking energy: -103.858
Base-Backbone interact. energy: 1.477
local terms energy: -143.824356
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -37.081
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -22.776
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: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -351.785486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.785486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.785486 (E_RNA)
where:
Base-Base interactions energy: -210.700
where: short stacking energy: -94.852
Base-Backbone interact. energy: -1.378
local terms energy: -139.707714
where:
bonds (distance) C4'-P energy: -39.652
bonds (distance) P-C4' energy: -29.376
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -23.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -309.808648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.808648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.808648 (E_RNA)
where:
Base-Base interactions energy: -173.057
where: short stacking energy: -83.821
Base-Backbone interact. energy: -0.899
local terms energy: -135.853369
where:
bonds (distance) C4'-P energy: -33.677
bonds (distance) P-C4' energy: -33.304
flat angles C4'-P-C4' energy: -38.226
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -8.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -218.314365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.314365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.314365 (E_RNA)
where:
Base-Base interactions energy: -112.663
where: short stacking energy: -42.720
Base-Backbone interact. energy: -0.628
local terms energy: -105.023327
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -35.841
flat angles C4'-P-C4' energy: -31.975
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: 2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -158.644155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.644155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.644155 (E_RNA)
where:
Base-Base interactions energy: -59.700
where: short stacking energy: -46.949
Base-Backbone interact. energy: -0.346
local terms energy: -98.598236
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -588.873564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.873564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.873564 (E_RNA)
where:
Base-Base interactions energy: -405.293
where: short stacking energy: -153.668
Base-Backbone interact. energy: -0.640
local terms energy: -182.940761
where:
bonds (distance) C4'-P energy: -38.730
bonds (distance) P-C4' energy: -36.589
flat angles C4'-P-C4' energy: -38.156
flat angles P-C4'-P energy: -27.354
tors. eta vs tors. theta energy: -42.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -584.707648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.707648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.707648 (E_RNA)
where:
Base-Base interactions energy: -394.578
where: short stacking energy: -160.638
Base-Backbone interact. energy: -1.148
local terms energy: -188.981317
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -44.260
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -46.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -556.098382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.098382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.098382 (E_RNA)
where:
Base-Base interactions energy: -377.946
where: short stacking energy: -144.566
Base-Backbone interact. energy: -0.748
local terms energy: -177.404389
where:
bonds (distance) C4'-P energy: -37.957
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -25.401
tors. eta vs tors. theta energy: -39.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -420.768095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.768095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.768095 (E_RNA)
where:
Base-Base interactions energy: -268.579
where: short stacking energy: -135.449
Base-Backbone interact. energy: -0.951
local terms energy: -151.237574
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -38.791
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -34.514
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: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -376.191697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.191697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.191697 (E_RNA)
where:
Base-Base interactions energy: -226.708
where: short stacking energy: -107.467
Base-Backbone interact. energy: -1.412
local terms energy: -149.154041
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -34.105
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -31.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.083 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -367.897636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.897636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.897636 (E_RNA)
where:
Base-Base interactions energy: -226.126
where: short stacking energy: -97.059
Base-Backbone interact. energy: -2.448
local terms energy: -139.323458
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -35.101
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -307.024902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.024902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.024902 (E_RNA)
where:
Base-Base interactions energy: -175.265
where: short stacking energy: -84.841
Base-Backbone interact. energy: -0.469
local terms energy: -131.291055
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -36.431
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -318.127411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.127411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.127411 (E_RNA)
where:
Base-Base interactions energy: -189.788
where: short stacking energy: -86.579
Base-Backbone interact. energy: 1.546
local terms energy: -130.080993
where:
bonds (distance) C4'-P energy: -35.531
bonds (distance) P-C4' energy: -41.748
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.196 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -242.388842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.388842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.388842 (E_RNA)
where:
Base-Base interactions energy: -127.670
where: short stacking energy: -54.734
Base-Backbone interact. energy: 1.131
local terms energy: -115.850224
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -148.518565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.518565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.518565 (E_RNA)
where:
Base-Base interactions energy: -59.379
where: short stacking energy: -38.156
Base-Backbone interact. energy: -1.050
local terms energy: -88.090375
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: 8.304
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: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -587.576357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.576357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.576357 (E_RNA)
where:
Base-Base interactions energy: -401.568
where: short stacking energy: -161.466
Base-Backbone interact. energy: -1.300
local terms energy: -184.708457
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -32.663
flat angles P-C4'-P energy: -30.336
tors. eta vs tors. theta energy: -49.019
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: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -573.300384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.300384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.300384 (E_RNA)
where:
Base-Base interactions energy: -399.596
where: short stacking energy: -155.655
Base-Backbone interact. energy: 0.761
local terms energy: -174.464836
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -36.944
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -43.887
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: 3, replica: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -589.485777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.485777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.485777 (E_RNA)
where:
Base-Base interactions energy: -406.815
where: short stacking energy: -162.455
Base-Backbone interact. energy: -1.075
local terms energy: -181.595851
where:
bonds (distance) C4'-P energy: -33.988
bonds (distance) P-C4' energy: -34.225
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -50.566
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: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -428.229567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.229567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.229567 (E_RNA)
where:
Base-Base interactions energy: -275.226
where: short stacking energy: -132.765
Base-Backbone interact. energy: -1.116
local terms energy: -151.887569
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -31.726
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: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -352.024927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.024927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.024927 (E_RNA)
where:
Base-Base interactions energy: -213.185
where: short stacking energy: -91.254
Base-Backbone interact. energy: 0.651
local terms energy: -139.490918
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -355.303725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.303725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.303725 (E_RNA)
where:
Base-Base interactions energy: -220.083
where: short stacking energy: -101.226
Base-Backbone interact. energy: 0.219
local terms energy: -135.439920
where:
bonds (distance) C4'-P energy: -30.327
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -318.196719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.196719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.196719 (E_RNA)
where:
Base-Base interactions energy: -183.174
where: short stacking energy: -85.090
Base-Backbone interact. energy: -0.359
local terms energy: -134.663031
where:
bonds (distance) C4'-P energy: -34.132
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -15.035
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: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -309.892299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.892299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.892299 (E_RNA)
where:
Base-Base interactions energy: -186.623
where: short stacking energy: -84.415
Base-Backbone interact. energy: 1.034
local terms energy: -124.303466
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -243.480741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.480741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.480741 (E_RNA)
where:
Base-Base interactions energy: -132.703
where: short stacking energy: -75.313
Base-Backbone interact. energy: -1.744
local terms energy: -109.034010
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -160.138837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.138837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.138837 (E_RNA)
where:
Base-Base interactions energy: -59.830
where: short stacking energy: -42.149
Base-Backbone interact. energy: 0.672
local terms energy: -100.980014
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -31.985
flat angles C4'-P-C4' energy: -28.040
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: 1.655
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: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -580.666285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.666285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.666285 (E_RNA)
where:
Base-Base interactions energy: -391.819
where: short stacking energy: -164.046
Base-Backbone interact. energy: -2.551
local terms energy: -186.296480
where:
bonds (distance) C4'-P energy: -39.410
bonds (distance) P-C4' energy: -37.874
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -48.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -579.387635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.387635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.387635 (E_RNA)
where:
Base-Base interactions energy: -400.364
where: short stacking energy: -152.318
Base-Backbone interact. energy: 1.626
local terms energy: -180.650069
where:
bonds (distance) C4'-P energy: -40.083
bonds (distance) P-C4' energy: -33.521
flat angles C4'-P-C4' energy: -37.914
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -42.998
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: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -568.771990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.771990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.771990 (E_RNA)
where:
Base-Base interactions energy: -398.008
where: short stacking energy: -158.252
Base-Backbone interact. energy: -0.329
local terms energy: -170.434690
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -34.725
flat angles C4'-P-C4' energy: -37.563
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -43.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -401.490634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.490634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.490634 (E_RNA)
where:
Base-Base interactions energy: -240.639
where: short stacking energy: -122.691
Base-Backbone interact. energy: -0.806
local terms energy: -162.779934
where:
bonds (distance) C4'-P energy: -35.043
bonds (distance) P-C4' energy: -40.447
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: -32.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.735 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -347.373078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.373078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.373078 (E_RNA)
where:
Base-Base interactions energy: -234.563
where: short stacking energy: -76.555
Base-Backbone interact. energy: -0.517
local terms energy: -112.292383
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -27.011
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -343.103608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.103608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.103608 (E_RNA)
where:
Base-Base interactions energy: -197.930
where: short stacking energy: -96.744
Base-Backbone interact. energy: -0.710
local terms energy: -144.463884
where:
bonds (distance) C4'-P energy: -33.381
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -30.612
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -341.604398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.604398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.604398 (E_RNA)
where:
Base-Base interactions energy: -210.605
where: short stacking energy: -111.910
Base-Backbone interact. energy: -0.252
local terms energy: -130.748251
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -34.144
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -306.966467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.966467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.966467 (E_RNA)
where:
Base-Base interactions energy: -171.252
where: short stacking energy: -82.789
Base-Backbone interact. energy: -1.281
local terms energy: -134.433515
where:
bonds (distance) C4'-P energy: -32.800
bonds (distance) P-C4' energy: -38.526
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -177.148589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.148589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.148589 (E_RNA)
where:
Base-Base interactions energy: -63.366
where: short stacking energy: -48.576
Base-Backbone interact. energy: -0.833
local terms energy: -112.949829
where:
bonds (distance) C4'-P energy: -36.836
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -230.792437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.792437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.792437 (E_RNA)
where:
Base-Base interactions energy: -125.637
where: short stacking energy: -60.838
Base-Backbone interact. energy: 2.558
local terms energy: -107.713278
where:
bonds (distance) C4'-P energy: -32.915
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -26.769
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -3.821
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: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -577.443957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.443957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.443957 (E_RNA)
where:
Base-Base interactions energy: -399.770
where: short stacking energy: -157.878
Base-Backbone interact. energy: -1.289
local terms energy: -176.384920
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -40.776
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -44.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -574.369249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.369249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.369249 (E_RNA)
where:
Base-Base interactions energy: -403.190
where: short stacking energy: -157.714
Base-Backbone interact. energy: -1.452
local terms energy: -169.727855
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -33.808
flat angles C4'-P-C4' energy: -35.377
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -45.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -578.173236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.173236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.173236 (E_RNA)
where:
Base-Base interactions energy: -412.149
where: short stacking energy: -156.647
Base-Backbone interact. energy: -1.764
local terms energy: -164.260917
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -34.359
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -47.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -416.729528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.729528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.729528 (E_RNA)
where:
Base-Base interactions energy: -258.315
where: short stacking energy: -129.368
Base-Backbone interact. energy: -0.089
local terms energy: -158.326017
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -30.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -411.365978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.365978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.365978 (E_RNA)
where:
Base-Base interactions energy: -247.151
where: short stacking energy: -119.923
Base-Backbone interact. energy: -0.312
local terms energy: -163.903293
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -39.744
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -29.190
tors. eta vs tors. theta energy: -24.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -353.204687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.204687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.204687 (E_RNA)
where:
Base-Base interactions energy: -210.478
where: short stacking energy: -111.665
Base-Backbone interact. energy: -1.066
local terms energy: -141.660717
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -39.802
flat angles C4'-P-C4' energy: -29.873
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -26.725
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: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -329.069130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.069130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.069130 (E_RNA)
where:
Base-Base interactions energy: -201.148
where: short stacking energy: -91.123
Base-Backbone interact. energy: 0.262
local terms energy: -128.182749
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -31.633
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -319.254643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.254643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.254643 (E_RNA)
where:
Base-Base interactions energy: -193.148
where: short stacking energy: -89.313
Base-Backbone interact. energy: -0.309
local terms energy: -125.797785
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -169.037752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.037752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.037752 (E_RNA)
where:
Base-Base interactions energy: -61.831
where: short stacking energy: -50.454
Base-Backbone interact. energy: -0.047
local terms energy: -107.401120
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -285.948379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.948379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.948379 (E_RNA)
where:
Base-Base interactions energy: -165.114
where: short stacking energy: -89.368
Base-Backbone interact. energy: -1.341
local terms energy: -119.493308
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -30.215
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -587.929151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.929151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.929151 (E_RNA)
where:
Base-Base interactions energy: -403.540
where: short stacking energy: -157.637
Base-Backbone interact. energy: -0.053
local terms energy: -184.336479
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -47.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -575.035442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.035442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.035442 (E_RNA)
where:
Base-Base interactions energy: -385.643
where: short stacking energy: -158.674
Base-Backbone interact. energy: -0.477
local terms energy: -188.915794
where:
bonds (distance) C4'-P energy: -41.053
bonds (distance) P-C4' energy: -36.814
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -31.614
tors. eta vs tors. theta energy: -44.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -571.117604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.117604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.117604 (E_RNA)
where:
Base-Base interactions energy: -384.126
where: short stacking energy: -152.851
Base-Backbone interact. energy: -1.568
local terms energy: -185.423337
where:
bonds (distance) C4'-P energy: -35.486
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -51.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -408.819723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.819723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.819723 (E_RNA)
where:
Base-Base interactions energy: -240.267
where: short stacking energy: -105.719
Base-Backbone interact. energy: -2.006
local terms energy: -166.546854
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -38.313
flat angles C4'-P-C4' energy: -40.118
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -27.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -393.455670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.455670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.455670 (E_RNA)
where:
Base-Base interactions energy: -238.760
where: short stacking energy: -108.199
Base-Backbone interact. energy: -1.648
local terms energy: -156.691578
where:
bonds (distance) C4'-P energy: -40.315
bonds (distance) P-C4' energy: -39.679
flat angles C4'-P-C4' energy: -33.170
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -29.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.644 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -409.228346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.228346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.228346 (E_RNA)
where:
Base-Base interactions energy: -268.539
where: short stacking energy: -119.544
Base-Backbone interact. energy: 1.337
local terms energy: -142.026450
where:
bonds (distance) C4'-P energy: -39.209
bonds (distance) P-C4' energy: -36.164
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -33.146
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: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -322.022832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.022832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.022832 (E_RNA)
where:
Base-Base interactions energy: -192.256
where: short stacking energy: -83.903
Base-Backbone interact. energy: -1.815
local terms energy: -127.951685
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -39.091
flat angles C4'-P-C4' energy: -33.302
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -328.235637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.235637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.235637 (E_RNA)
where:
Base-Base interactions energy: -194.316
where: short stacking energy: -90.691
Base-Backbone interact. energy: -0.902
local terms energy: -133.017608
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -23.320
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: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -281.907439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.907439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.907439 (E_RNA)
where:
Base-Base interactions energy: -160.368
where: short stacking energy: -81.695
Base-Backbone interact. energy: 0.341
local terms energy: -121.880188
where:
bonds (distance) C4'-P energy: -36.408
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -12.790
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: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -151.162046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.162046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.162046 (E_RNA)
where:
Base-Base interactions energy: -53.997
where: short stacking energy: -52.631
Base-Backbone interact. energy: 0.735
local terms energy: -97.900099
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -594.418215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.418215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.418215 (E_RNA)
where:
Base-Base interactions energy: -414.403
where: short stacking energy: -171.597
Base-Backbone interact. energy: -0.587
local terms energy: -179.428281
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -41.815
flat angles C4'-P-C4' energy: -39.027
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -44.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -567.137579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.137579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.137579 (E_RNA)
where:
Base-Base interactions energy: -387.714
where: short stacking energy: -163.738
Base-Backbone interact. energy: -0.284
local terms energy: -179.140401
where:
bonds (distance) C4'-P energy: -30.487
bonds (distance) P-C4' energy: -38.119
flat angles C4'-P-C4' energy: -41.076
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -46.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -558.711948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.711948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.711948 (E_RNA)
where:
Base-Base interactions energy: -384.357
where: short stacking energy: -148.446
Base-Backbone interact. energy: -0.987
local terms energy: -173.367729
where:
bonds (distance) C4'-P energy: -37.215
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -26.144
tors. eta vs tors. theta energy: -37.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -403.826176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.826176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.826176 (E_RNA)
where:
Base-Base interactions energy: -254.571
where: short stacking energy: -119.850
Base-Backbone interact. energy: -0.827
local terms energy: -148.427283
where:
bonds (distance) C4'-P energy: -38.126
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -385.115905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.115905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.115905 (E_RNA)
where:
Base-Base interactions energy: -228.437
where: short stacking energy: -105.699
Base-Backbone interact. energy: -0.346
local terms energy: -156.332366
where:
bonds (distance) C4'-P energy: -33.335
bonds (distance) P-C4' energy: -37.611
flat angles C4'-P-C4' energy: -40.044
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -385.939210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.939210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.939210 (E_RNA)
where:
Base-Base interactions energy: -233.358
where: short stacking energy: -103.158
Base-Backbone interact. energy: -0.710
local terms energy: -151.871200
where:
bonds (distance) C4'-P energy: -37.675
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -32.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -309.081438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.081438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.081438 (E_RNA)
where:
Base-Base interactions energy: -190.681
where: short stacking energy: -90.121
Base-Backbone interact. energy: -2.631
local terms energy: -115.769683
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -333.090128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.090128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.090128 (E_RNA)
where:
Base-Base interactions energy: -205.132
where: short stacking energy: -83.921
Base-Backbone interact. energy: 2.081
local terms energy: -130.039080
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -32.455
flat angles C4'-P-C4' energy: -36.361
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -289.407710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.407710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.407710 (E_RNA)
where:
Base-Base interactions energy: -169.615
where: short stacking energy: -81.794
Base-Backbone interact. energy: -1.707
local terms energy: -118.086183
where:
bonds (distance) C4'-P energy: -34.851
bonds (distance) P-C4' energy: -32.236
flat angles C4'-P-C4' energy: -28.477
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -161.186782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.186782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.186782 (E_RNA)
where:
Base-Base interactions energy: -70.675
where: short stacking energy: -50.209
Base-Backbone interact. energy: -0.545
local terms energy: -89.966900
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -29.860
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: 1.985
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: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -591.237653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.237653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.237653 (E_RNA)
where:
Base-Base interactions energy: -411.894
where: short stacking energy: -163.865
Base-Backbone interact. energy: -0.072
local terms energy: -179.271750
where:
bonds (distance) C4'-P energy: -32.876
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -47.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -572.620849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.620849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.620849 (E_RNA)
where:
Base-Base interactions energy: -396.251
where: short stacking energy: -158.169
Base-Backbone interact. energy: -0.615
local terms energy: -175.755283
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -40.197
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -45.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -551.380797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.380797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.380797 (E_RNA)
where:
Base-Base interactions energy: -380.584
where: short stacking energy: -157.831
Base-Backbone interact. energy: 0.100
local terms energy: -170.897260
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -21.015
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -409.378924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.378924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.378924 (E_RNA)
where:
Base-Base interactions energy: -254.285
where: short stacking energy: -119.311
Base-Backbone interact. energy: -0.174
local terms energy: -154.920559
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -33.655
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -29.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -370.193544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.193544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.193544 (E_RNA)
where:
Base-Base interactions energy: -214.065
where: short stacking energy: -94.793
Base-Backbone interact. energy: -1.236
local terms energy: -154.892505
where:
bonds (distance) C4'-P energy: -33.661
bonds (distance) P-C4' energy: -38.143
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -27.967
tors. eta vs tors. theta energy: -20.907
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: 192
Temperature: 1.150000
Total energy: -324.738194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.738194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.738194 (E_RNA)
where:
Base-Base interactions energy: -195.818
where: short stacking energy: -91.847
Base-Backbone interact. energy: -0.592
local terms energy: -128.328601
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -36.312
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -17.672
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: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -349.607235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.607235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.607235 (E_RNA)
where:
Base-Base interactions energy: -212.376
where: short stacking energy: -92.376
Base-Backbone interact. energy: -1.786
local terms energy: -135.445060
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -33.330
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -283.174066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.174066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.174066 (E_RNA)
where:
Base-Base interactions energy: -165.872
where: short stacking energy: -79.165
Base-Backbone interact. energy: 1.116
local terms energy: -118.417877
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -34.231
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -17.296
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: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -297.685505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.685505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.685505 (E_RNA)
where:
Base-Base interactions energy: -179.831
where: short stacking energy: -98.147
Base-Backbone interact. energy: -2.283
local terms energy: -115.571060
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -12.395
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: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -168.167613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.167613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.167613 (E_RNA)
where:
Base-Base interactions energy: -64.293
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.011
local terms energy: -104.084502
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.221 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -583.081735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.081735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.081735 (E_RNA)
where:
Base-Base interactions energy: -401.729
where: short stacking energy: -162.775
Base-Backbone interact. energy: -0.085
local terms energy: -181.267260
where:
bonds (distance) C4'-P energy: -31.291
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -39.192
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: -44.931
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: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -570.174194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.174194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.174194 (E_RNA)
where:
Base-Base interactions energy: -388.773
where: short stacking energy: -165.985
Base-Backbone interact. energy: -0.071
local terms energy: -181.330037
where:
bonds (distance) C4'-P energy: -35.654
bonds (distance) P-C4' energy: -36.387
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -43.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -540.732912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.732912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.732912 (E_RNA)
where:
Base-Base interactions energy: -370.498
where: short stacking energy: -146.083
Base-Backbone interact. energy: -0.789
local terms energy: -169.446529
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -35.650
flat angles C4'-P-C4' energy: -38.570
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -41.879
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: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -447.216183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.216183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.216183 (E_RNA)
where:
Base-Base interactions energy: -295.715
where: short stacking energy: -124.577
Base-Backbone interact. energy: -1.917
local terms energy: -149.584489
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -33.025
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -25.437
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: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -363.818243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.818243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.818243 (E_RNA)
where:
Base-Base interactions energy: -219.535
where: short stacking energy: -103.001
Base-Backbone interact. energy: -1.514
local terms energy: -142.768807
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -24.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -347.712909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.712909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.712909 (E_RNA)
where:
Base-Base interactions energy: -204.039
where: short stacking energy: -91.983
Base-Backbone interact. energy: -0.659
local terms energy: -143.847337
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.833 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -335.844154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.844154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.844154 (E_RNA)
where:
Base-Base interactions energy: -194.605
where: short stacking energy: -84.200
Base-Backbone interact. energy: -1.134
local terms energy: -140.105561
where:
bonds (distance) C4'-P energy: -33.290
bonds (distance) P-C4' energy: -39.048
flat angles C4'-P-C4' energy: -34.156
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -328.720315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.720315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.720315 (E_RNA)
where:
Base-Base interactions energy: -195.091
where: short stacking energy: -91.848
Base-Backbone interact. energy: -0.686
local terms energy: -133.347417
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -36.867
flat angles C4'-P-C4' energy: -37.341
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.404 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -251.271733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.271733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.271733 (E_RNA)
where:
Base-Base interactions energy: -125.850
where: short stacking energy: -78.041
Base-Backbone interact. energy: 0.009
local terms energy: -125.430445
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -14.200
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: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -162.012438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.012438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.012438 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -33.430
Base-Backbone interact. energy: -0.587
local terms energy: -118.188777
where:
bonds (distance) C4'-P energy: -30.327
bonds (distance) P-C4' energy: -33.224
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: 1.177
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: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -596.889693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.889693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.889693 (E_RNA)
where:
Base-Base interactions energy: -403.347
where: short stacking energy: -163.415
Base-Backbone interact. energy: -1.241
local terms energy: -192.300992
where:
bonds (distance) C4'-P energy: -40.988
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -44.973
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: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -578.397070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.397070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.397070 (E_RNA)
where:
Base-Base interactions energy: -398.434
where: short stacking energy: -167.979
Base-Backbone interact. energy: -0.395
local terms energy: -179.567140
where:
bonds (distance) C4'-P energy: -34.876
bonds (distance) P-C4' energy: -38.499
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -47.955
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: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -522.661521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.661521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.661521 (E_RNA)
where:
Base-Base interactions energy: -371.610
where: short stacking energy: -152.973
Base-Backbone interact. energy: -0.026
local terms energy: -151.025671
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -30.688
flat angles C4'-P-C4' energy: -32.964
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -37.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -411.861634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.861634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.861634 (E_RNA)
where:
Base-Base interactions energy: -257.033
where: short stacking energy: -115.227
Base-Backbone interact. energy: -0.092
local terms energy: -154.736834
where:
bonds (distance) C4'-P energy: -32.858
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -24.301
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: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -405.592348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.592348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.592348 (E_RNA)
where:
Base-Base interactions energy: -250.681
where: short stacking energy: -101.343
Base-Backbone interact. energy: -1.930
local terms energy: -152.990050
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -26.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -345.522457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.522457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.522457 (E_RNA)
where:
Base-Base interactions energy: -212.647
where: short stacking energy: -102.864
Base-Backbone interact. energy: -1.851
local terms energy: -131.024506
where:
bonds (distance) C4'-P energy: -35.410
bonds (distance) P-C4' energy: -28.520
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -348.799358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.799358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.799358 (E_RNA)
where:
Base-Base interactions energy: -211.035
where: short stacking energy: -101.373
Base-Backbone interact. energy: -0.448
local terms energy: -137.316232
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -331.002390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.002390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.002390 (E_RNA)
where:
Base-Base interactions energy: -201.879
where: short stacking energy: -84.655
Base-Backbone interact. energy: 1.468
local terms energy: -131.086551
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.495 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -217.297162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.297162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.297162 (E_RNA)
where:
Base-Base interactions energy: -102.709
where: short stacking energy: -66.618
Base-Backbone interact. energy: 1.187
local terms energy: -115.774764
where:
bonds (distance) C4'-P energy: -28.906
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -165.049534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.049534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.049534 (E_RNA)
where:
Base-Base interactions energy: -64.074
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.458
local terms energy: -100.516984
where:
bonds (distance) C4'-P energy: -29.689
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -601.827267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.827267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.827267 (E_RNA)
where:
Base-Base interactions energy: -417.316
where: short stacking energy: -175.753
Base-Backbone interact. energy: 1.111
local terms energy: -185.622813
where:
bonds (distance) C4'-P energy: -37.485
bonds (distance) P-C4' energy: -31.772
flat angles C4'-P-C4' energy: -39.833
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -54.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -582.685239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.685239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.685239 (E_RNA)
where:
Base-Base interactions energy: -400.769
where: short stacking energy: -157.050
Base-Backbone interact. energy: -0.867
local terms energy: -181.048548
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -36.940
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -30.628
tors. eta vs tors. theta energy: -43.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -539.628775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.628775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.628775 (E_RNA)
where:
Base-Base interactions energy: -369.542
where: short stacking energy: -142.078
Base-Backbone interact. energy: -0.782
local terms energy: -169.305022
where:
bonds (distance) C4'-P energy: -29.551
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -41.687
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -39.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -461.827609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.827609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.827609 (E_RNA)
where:
Base-Base interactions energy: -293.100
where: short stacking energy: -129.283
Base-Backbone interact. energy: -0.483
local terms energy: -168.244707
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -35.999
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -22.303
tors. eta vs tors. theta energy: -43.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -352.006902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.006902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.006902 (E_RNA)
where:
Base-Base interactions energy: -202.557
where: short stacking energy: -97.738
Base-Backbone interact. energy: -0.296
local terms energy: -149.154375
where:
bonds (distance) C4'-P energy: -37.130
bonds (distance) P-C4' energy: -32.868
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -367.226710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.226710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.226710 (E_RNA)
where:
Base-Base interactions energy: -219.210
where: short stacking energy: -105.756
Base-Backbone interact. energy: -0.729
local terms energy: -147.287766
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -35.515
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -22.539
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: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -316.978824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.978824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.978824 (E_RNA)
where:
Base-Base interactions energy: -193.929
where: short stacking energy: -93.736
Base-Backbone interact. energy: -0.450
local terms energy: -122.599337
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -15.208
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -309.047577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.047577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.047577 (E_RNA)
where:
Base-Base interactions energy: -197.225
where: short stacking energy: -91.378
Base-Backbone interact. energy: 0.156
local terms energy: -111.979128
where:
bonds (distance) C4'-P energy: -22.712
bonds (distance) P-C4' energy: -32.519
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -13.503
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: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -239.405775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.405775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.405775 (E_RNA)
where:
Base-Base interactions energy: -124.767
where: short stacking energy: -76.066
Base-Backbone interact. energy: -0.176
local terms energy: -114.463113
where:
bonds (distance) C4'-P energy: -28.301
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -29.062
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -160.635232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.635232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.635232 (E_RNA)
where:
Base-Base interactions energy: -73.140
where: short stacking energy: -41.658
Base-Backbone interact. energy: 1.070
local terms energy: -88.565614
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -43.662
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: 9.110
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: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -590.894127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.894127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.894127 (E_RNA)
where:
Base-Base interactions energy: -417.013
where: short stacking energy: -162.589
Base-Backbone interact. energy: -1.290
local terms energy: -172.591448
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -33.858
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -44.333
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: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -568.617684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.617684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.617684 (E_RNA)
where:
Base-Base interactions energy: -389.924
where: short stacking energy: -167.569
Base-Backbone interact. energy: -0.479
local terms energy: -178.214629
where:
bonds (distance) C4'-P energy: -33.987
bonds (distance) P-C4' energy: -38.262
flat angles C4'-P-C4' energy: -34.452
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -47.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -546.498367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.498367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.498367 (E_RNA)
where:
Base-Base interactions energy: -373.772
where: short stacking energy: -148.230
Base-Backbone interact. energy: -1.407
local terms energy: -171.318809
where:
bonds (distance) C4'-P energy: -37.313
bonds (distance) P-C4' energy: -35.893
flat angles C4'-P-C4' energy: -30.034
flat angles P-C4'-P energy: -28.019
tors. eta vs tors. theta energy: -40.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -488.332494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.332494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.332494 (E_RNA)
where:
Base-Base interactions energy: -322.968
where: short stacking energy: -141.539
Base-Backbone interact. energy: 0.024
local terms energy: -165.388112
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -34.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -382.542500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.542500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.542500 (E_RNA)
where:
Base-Base interactions energy: -231.288
where: short stacking energy: -118.517
Base-Backbone interact. energy: -1.176
local terms energy: -150.078412
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -31.168
flat angles C4'-P-C4' energy: -44.030
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -356.721491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.721491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.721491 (E_RNA)
where:
Base-Base interactions energy: -209.205
where: short stacking energy: -97.331
Base-Backbone interact. energy: -0.724
local terms energy: -146.793400
where:
bonds (distance) C4'-P energy: -39.743
bonds (distance) P-C4' energy: -32.300
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -360.491918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.491918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.491918 (E_RNA)
where:
Base-Base interactions energy: -223.000
where: short stacking energy: -113.660
Base-Backbone interact. energy: -0.481
local terms energy: -137.010809
where:
bonds (distance) C4'-P energy: -25.797
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -31.596
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -26.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -303.809602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.809602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.809602 (E_RNA)
where:
Base-Base interactions energy: -169.281
where: short stacking energy: -87.375
Base-Backbone interact. energy: -0.343
local terms energy: -134.186126
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -222.843802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.843802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.843802 (E_RNA)
where:
Base-Base interactions energy: -115.007
where: short stacking energy: -63.891
Base-Backbone interact. energy: 0.082
local terms energy: -107.918394
where:
bonds (distance) C4'-P energy: -32.905
bonds (distance) P-C4' energy: -35.767
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -10.174
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: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -160.856195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.856195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.856195 (E_RNA)
where:
Base-Base interactions energy: -47.191
where: short stacking energy: -43.455
Base-Backbone interact. energy: -0.480
local terms energy: -113.715342
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -32.204
flat angles C4'-P-C4' energy: -31.166
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: 3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.530 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -609.839722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.839722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.839722 (E_RNA)
where:
Base-Base interactions energy: -423.233
where: short stacking energy: -159.166
Base-Backbone interact. energy: -1.399
local terms energy: -185.208207
where:
bonds (distance) C4'-P energy: -34.885
bonds (distance) P-C4' energy: -39.124
flat angles C4'-P-C4' energy: -41.154
flat angles P-C4'-P energy: -24.877
tors. eta vs tors. theta energy: -45.168
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: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -580.702994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.702994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.702994 (E_RNA)
where:
Base-Base interactions energy: -398.411
where: short stacking energy: -153.550
Base-Backbone interact. energy: -0.270
local terms energy: -182.022327
where:
bonds (distance) C4'-P energy: -37.583
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -36.282
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -45.915
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: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -551.767408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.767408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.767408 (E_RNA)
where:
Base-Base interactions energy: -391.611
where: short stacking energy: -130.970
Base-Backbone interact. energy: -0.903
local terms energy: -159.253146
where:
bonds (distance) C4'-P energy: -39.956
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -33.955
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: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -456.992706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.992706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.992706 (E_RNA)
where:
Base-Base interactions energy: -309.699
where: short stacking energy: -137.354
Base-Backbone interact. energy: -0.238
local terms energy: -147.055336
where:
bonds (distance) C4'-P energy: -26.190
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -39.267
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -33.489
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: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -366.575469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.575469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.575469 (E_RNA)
where:
Base-Base interactions energy: -241.218
where: short stacking energy: -100.544
Base-Backbone interact. energy: 1.509
local terms energy: -126.865732
where:
bonds (distance) C4'-P energy: -33.003
bonds (distance) P-C4' energy: -37.681
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -346.684086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.684086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.684086 (E_RNA)
where:
Base-Base interactions energy: -212.395
where: short stacking energy: -98.755
Base-Backbone interact. energy: -0.697
local terms energy: -133.591830
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -337.914485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.914485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.914485 (E_RNA)
where:
Base-Base interactions energy: -196.443
where: short stacking energy: -77.080
Base-Backbone interact. energy: -1.144
local terms energy: -140.326923
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -32.973
flat angles P-C4'-P energy: -22.708
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: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -297.221373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.221373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.221373 (E_RNA)
where:
Base-Base interactions energy: -188.154
where: short stacking energy: -75.960
Base-Backbone interact. energy: -0.301
local terms energy: -108.766202
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -228.297523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.297523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.297523 (E_RNA)
where:
Base-Base interactions energy: -123.982
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.963
local terms energy: -103.352529
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -21.070
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: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -168.110489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.110489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.110489 (E_RNA)
where:
Base-Base interactions energy: -55.926
where: short stacking energy: -43.637
Base-Backbone interact. energy: -1.811
local terms energy: -110.373799
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -31.953
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -592.557079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.557079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.557079 (E_RNA)
where:
Base-Base interactions energy: -408.689
where: short stacking energy: -157.879
Base-Backbone interact. energy: -0.737
local terms energy: -183.131371
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -39.046
flat angles P-C4'-P energy: -28.838
tors. eta vs tors. theta energy: -49.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -595.008897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.008897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.008897 (E_RNA)
where:
Base-Base interactions energy: -424.117
where: short stacking energy: -162.053
Base-Backbone interact. energy: -2.251
local terms energy: -168.640791
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: -45.400
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: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -561.267471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.267471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.267471 (E_RNA)
where:
Base-Base interactions energy: -384.051
where: short stacking energy: -142.565
Base-Backbone interact. energy: -1.363
local terms energy: -175.854113
where:
bonds (distance) C4'-P energy: -35.844
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -36.078
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -38.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -453.515093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.515093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.515093 (E_RNA)
where:
Base-Base interactions energy: -310.181
where: short stacking energy: -126.818
Base-Backbone interact. energy: -2.369
local terms energy: -140.965950
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -33.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -395.914209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.914209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.914209 (E_RNA)
where:
Base-Base interactions energy: -246.316
where: short stacking energy: -99.759
Base-Backbone interact. energy: -0.598
local terms energy: -149.000486
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -30.935
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -20.887
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: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -363.335843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.335843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.335843 (E_RNA)
where:
Base-Base interactions energy: -230.995
where: short stacking energy: -102.122
Base-Backbone interact. energy: 0.745
local terms energy: -133.085262
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -308.640802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.640802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.640802 (E_RNA)
where:
Base-Base interactions energy: -173.317
where: short stacking energy: -89.070
Base-Backbone interact. energy: -0.476
local terms energy: -134.847995
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -17.423
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: 198
Temperature: 1.250000
Total energy: -294.486193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.486193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.486193 (E_RNA)
where:
Base-Base interactions energy: -173.546
where: short stacking energy: -71.984
Base-Backbone interact. energy: -1.503
local terms energy: -119.437452
where:
bonds (distance) C4'-P energy: -35.759
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -245.758262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.758262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.758262 (E_RNA)
where:
Base-Base interactions energy: -118.482
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.422
local terms energy: -126.854190
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -33.408
flat angles C4'-P-C4' energy: -25.753
flat angles P-C4'-P energy: -25.405
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -167.064581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.064581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.064581 (E_RNA)
where:
Base-Base interactions energy: -58.396
where: short stacking energy: -45.101
Base-Backbone interact. energy: -1.077
local terms energy: -107.590805
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: 0.115
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: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -598.208660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.208660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.208660 (E_RNA)
where:
Base-Base interactions energy: -417.871
where: short stacking energy: -163.655
Base-Backbone interact. energy: -0.673
local terms energy: -179.665167
where:
bonds (distance) C4'-P energy: -35.031
bonds (distance) P-C4' energy: -33.983
flat angles C4'-P-C4' energy: -37.218
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -45.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -555.048819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.048819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.048819 (E_RNA)
where:
Base-Base interactions energy: -384.892
where: short stacking energy: -147.701
Base-Backbone interact. energy: -0.377
local terms energy: -169.780202
where:
bonds (distance) C4'-P energy: -41.733
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -42.562
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: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -578.652425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.652425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.652425 (E_RNA)
where:
Base-Base interactions energy: -405.969
where: short stacking energy: -158.741
Base-Backbone interact. energy: 0.393
local terms energy: -173.075639
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -49.142
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: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -436.455882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.455882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.455882 (E_RNA)
where:
Base-Base interactions energy: -285.801
where: short stacking energy: -123.053
Base-Backbone interact. energy: -1.339
local terms energy: -149.315687
where:
bonds (distance) C4'-P energy: -32.511
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -19.796
tors. eta vs tors. theta energy: -30.840
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: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -406.838126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.838126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.838126 (E_RNA)
where:
Base-Base interactions energy: -259.621
where: short stacking energy: -112.112
Base-Backbone interact. energy: 2.920
local terms energy: -150.136628
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -40.233
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -29.211
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: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -352.282587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.282587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.282587 (E_RNA)
where:
Base-Base interactions energy: -226.395
where: short stacking energy: -101.972
Base-Backbone interact. energy: -0.193
local terms energy: -125.694750
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -29.085
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: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -314.138911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.138911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.138911 (E_RNA)
where:
Base-Base interactions energy: -175.740
where: short stacking energy: -78.844
Base-Backbone interact. energy: -1.249
local terms energy: -137.149126
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -39.021
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -249.769087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.769087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.769087 (E_RNA)
where:
Base-Base interactions energy: -130.483
where: short stacking energy: -77.380
Base-Backbone interact. energy: -0.779
local terms energy: -118.507465
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -25.111
tors. eta vs tors. theta energy: -12.086
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: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -291.430139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.430139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.430139 (E_RNA)
where:
Base-Base interactions energy: -162.043
where: short stacking energy: -76.375
Base-Backbone interact. energy: -1.930
local terms energy: -127.456920
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -24.960
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -170.953040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.953040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.953040 (E_RNA)
where:
Base-Base interactions energy: -64.818
where: short stacking energy: -57.034
Base-Backbone interact. energy: 1.232
local terms energy: -108.064643
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.698 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -605.693034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.693034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.693034 (E_RNA)
where:
Base-Base interactions energy: -420.295
where: short stacking energy: -169.700
Base-Backbone interact. energy: -1.036
local terms energy: -184.362647
where:
bonds (distance) C4'-P energy: -39.359
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -39.255
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -50.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -551.499105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.499105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.499105 (E_RNA)
where:
Base-Base interactions energy: -367.322
where: short stacking energy: -147.394
Base-Backbone interact. energy: -1.605
local terms energy: -182.572599
where:
bonds (distance) C4'-P energy: -35.603
bonds (distance) P-C4' energy: -35.267
flat angles C4'-P-C4' energy: -42.807
flat angles P-C4'-P energy: -29.407
tors. eta vs tors. theta energy: -39.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -564.558872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.558872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.558872 (E_RNA)
where:
Base-Base interactions energy: -391.591
where: short stacking energy: -152.344
Base-Backbone interact. energy: -0.363
local terms energy: -172.604291
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -37.672
flat angles C4'-P-C4' energy: -38.131
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -47.066
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: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -453.117734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.117734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.117734 (E_RNA)
where:
Base-Base interactions energy: -295.470
where: short stacking energy: -121.458
Base-Backbone interact. energy: -0.356
local terms energy: -157.291763
where:
bonds (distance) C4'-P energy: -32.864
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -32.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -397.488025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.488025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.488025 (E_RNA)
where:
Base-Base interactions energy: -249.625
where: short stacking energy: -112.331
Base-Backbone interact. energy: -0.249
local terms energy: -147.769018
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -29.036
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -31.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.155 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -379.645212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.645212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.645212 (E_RNA)
where:
Base-Base interactions energy: -234.592
where: short stacking energy: -99.440
Base-Backbone interact. energy: -1.511
local terms energy: -143.541777
where:
bonds (distance) C4'-P energy: -28.891
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -31.416
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: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -312.288738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.288738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.288738 (E_RNA)
where:
Base-Base interactions energy: -181.752
where: short stacking energy: -84.000
Base-Backbone interact. energy: -0.871
local terms energy: -129.665362
where:
bonds (distance) C4'-P energy: -29.861
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -21.865
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: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -229.044182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.044182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.044182 (E_RNA)
where:
Base-Base interactions energy: -109.345
where: short stacking energy: -70.039
Base-Backbone interact. energy: -1.965
local terms energy: -118.016409
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -39.625
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.282 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -285.952322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.952322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.952322 (E_RNA)
where:
Base-Base interactions energy: -171.841
where: short stacking energy: -78.696
Base-Backbone interact. energy: -0.573
local terms energy: -113.537526
where:
bonds (distance) C4'-P energy: -32.796
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -9.634
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: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -163.120527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.120527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.120527 (E_RNA)
where:
Base-Base interactions energy: -61.188
where: short stacking energy: -52.972
Base-Backbone interact. energy: 0.842
local terms energy: -102.774559
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -25.285
flat angles C4'-P-C4' energy: -27.766
flat angles P-C4'-P energy: -17.094
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -607.094853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.094853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.094853 (E_RNA)
where:
Base-Base interactions energy: -419.435
where: short stacking energy: -169.057
Base-Backbone interact. energy: -0.378
local terms energy: -187.461084
where:
bonds (distance) C4'-P energy: -38.607
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -39.807
flat angles P-C4'-P energy: -23.852
tors. eta vs tors. theta energy: -51.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.180 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -574.140405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.140405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.140405 (E_RNA)
where:
Base-Base interactions energy: -406.472
where: short stacking energy: -152.290
Base-Backbone interact. energy: 0.250
local terms energy: -167.917765
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -36.453
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -46.527
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: 201
Temperature: 1.000000
Total energy: -534.174075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.174075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.174075 (E_RNA)
where:
Base-Base interactions energy: -374.647
where: short stacking energy: -148.486
Base-Backbone interact. energy: -1.708
local terms energy: -157.819819
where:
bonds (distance) C4'-P energy: -34.523
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -37.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -408.235642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.235642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.235642 (E_RNA)
where:
Base-Base interactions energy: -256.348
where: short stacking energy: -128.067
Base-Backbone interact. energy: -1.823
local terms energy: -150.065362
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -32.234
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -29.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -414.844269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.844269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.844269 (E_RNA)
where:
Base-Base interactions energy: -257.428
where: short stacking energy: -95.243
Base-Backbone interact. energy: -1.293
local terms energy: -156.122841
where:
bonds (distance) C4'-P energy: -34.615
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -39.099
flat angles P-C4'-P energy: -25.116
tors. eta vs tors. theta energy: -28.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -326.205736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.205736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.205736 (E_RNA)
where:
Base-Base interactions energy: -182.251
where: short stacking energy: -85.523
Base-Backbone interact. energy: 1.029
local terms energy: -144.984379
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -39.234
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -31.179
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -353.774833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.774833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.774833 (E_RNA)
where:
Base-Base interactions energy: -215.750
where: short stacking energy: -94.455
Base-Backbone interact. energy: -0.379
local terms energy: -138.303882
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.658 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -309.131103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.131103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.131103 (E_RNA)
where:
Base-Base interactions energy: -185.129
where: short stacking energy: -92.337
Base-Backbone interact. energy: 0.024
local terms energy: -124.026202
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -34.650
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -231.827429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.827429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.827429 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -55.850
Base-Backbone interact. energy: 2.161
local terms energy: -102.286499
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: 0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -153.583871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.583871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.583871 (E_RNA)
where:
Base-Base interactions energy: -59.546
where: short stacking energy: -39.185
Base-Backbone interact. energy: -0.240
local terms energy: -93.797187
where:
bonds (distance) C4'-P energy: -29.634
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: 14.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -605.360490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.360490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.360490 (E_RNA)
where:
Base-Base interactions energy: -417.673
where: short stacking energy: -160.495
Base-Backbone interact. energy: -1.608
local terms energy: -186.322839
where:
bonds (distance) C4'-P energy: -39.930
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -26.695
tors. eta vs tors. theta energy: -47.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.243 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -575.563130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.563130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.563130 (E_RNA)
where:
Base-Base interactions energy: -397.882
where: short stacking energy: -154.987
Base-Backbone interact. energy: -0.966
local terms energy: -176.715180
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -35.386
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: -44.264
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: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -570.172567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.172567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.172567 (E_RNA)
where:
Base-Base interactions energy: -396.087
where: short stacking energy: -159.046
Base-Backbone interact. energy: -1.860
local terms energy: -172.225473
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -46.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -404.307242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.307242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.307242 (E_RNA)
where:
Base-Base interactions energy: -253.239
where: short stacking energy: -118.859
Base-Backbone interact. energy: -1.495
local terms energy: -149.572679
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -36.560
flat angles C4'-P-C4' energy: -35.858
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -26.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -405.858755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.858755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.858755 (E_RNA)
where:
Base-Base interactions energy: -262.807
where: short stacking energy: -104.788
Base-Backbone interact. energy: 0.113
local terms energy: -143.164661
where:
bonds (distance) C4'-P energy: -36.843
bonds (distance) P-C4' energy: -39.264
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -343.463174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.463174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.463174 (E_RNA)
where:
Base-Base interactions energy: -203.263
where: short stacking energy: -105.518
Base-Backbone interact. energy: -2.346
local terms energy: -137.854356
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -35.976
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -25.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -345.860471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.860471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.860471 (E_RNA)
where:
Base-Base interactions energy: -212.725
where: short stacking energy: -99.308
Base-Backbone interact. energy: -0.926
local terms energy: -132.209705
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: -16.066
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: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -284.991438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.991438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.991438 (E_RNA)
where:
Base-Base interactions energy: -168.498
where: short stacking energy: -79.526
Base-Backbone interact. energy: -0.642
local terms energy: -115.851648
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -29.052
flat angles C4'-P-C4' energy: -30.454
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -237.307388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.307388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.307388 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.462
local terms energy: -115.644098
where:
bonds (distance) C4'-P energy: -36.247
bonds (distance) P-C4' energy: -37.897
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -4.575
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: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -164.774974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.774974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.774974 (E_RNA)
where:
Base-Base interactions energy: -63.572
where: short stacking energy: -51.952
Base-Backbone interact. energy: -2.015
local terms energy: -99.187959
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -602.985199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.985199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.985199 (E_RNA)
where:
Base-Base interactions energy: -412.577
where: short stacking energy: -161.663
Base-Backbone interact. energy: -0.682
local terms energy: -189.725649
where:
bonds (distance) C4'-P energy: -40.515
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: -44.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -586.278379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.278379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.278379 (E_RNA)
where:
Base-Base interactions energy: -400.221
where: short stacking energy: -172.053
Base-Backbone interact. energy: -1.668
local terms energy: -184.389437
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -38.168
flat angles C4'-P-C4' energy: -41.813
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: -46.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -561.328778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.328778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.328778 (E_RNA)
where:
Base-Base interactions energy: -385.733
where: short stacking energy: -156.885
Base-Backbone interact. energy: -0.402
local terms energy: -175.194015
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -35.877
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -24.998
tors. eta vs tors. theta energy: -42.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -412.834696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.834696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.834696 (E_RNA)
where:
Base-Base interactions energy: -244.810
where: short stacking energy: -119.233
Base-Backbone interact. energy: -0.651
local terms energy: -167.373467
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -36.599
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -34.046
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: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -387.364834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.364834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.364834 (E_RNA)
where:
Base-Base interactions energy: -235.331
where: short stacking energy: -116.074
Base-Backbone interact. energy: 0.898
local terms energy: -152.932080
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -33.295
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: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -353.760413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.760413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.760413 (E_RNA)
where:
Base-Base interactions energy: -220.002
where: short stacking energy: -96.709
Base-Backbone interact. energy: -0.792
local terms energy: -132.966443
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -17.828
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: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -325.965419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.965419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.965419 (E_RNA)
where:
Base-Base interactions energy: -191.105
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.450
local terms energy: -134.410869
where:
bonds (distance) C4'-P energy: -36.970
bonds (distance) P-C4' energy: -32.244
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -298.083299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.083299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.083299 (E_RNA)
where:
Base-Base interactions energy: -168.885
where: short stacking energy: -78.766
Base-Backbone interact. energy: -0.158
local terms energy: -129.040206
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -26.655
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -16.331
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: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -232.449453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.449453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.449453 (E_RNA)
where:
Base-Base interactions energy: -113.944
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.210
local terms energy: -118.295457
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -154.697238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.697238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.697238 (E_RNA)
where:
Base-Base interactions energy: -49.757
where: short stacking energy: -37.018
Base-Backbone interact. energy: -0.350
local terms energy: -104.589475
where:
bonds (distance) C4'-P energy: -34.648
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: 7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -606.151804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.151804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.151804 (E_RNA)
where:
Base-Base interactions energy: -421.586
where: short stacking energy: -173.373
Base-Backbone interact. energy: 1.378
local terms energy: -185.943471
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -38.363
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -48.599
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: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -571.109939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.109939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.109939 (E_RNA)
where:
Base-Base interactions energy: -395.877
where: short stacking energy: -161.923
Base-Backbone interact. energy: -2.637
local terms energy: -172.595511
where:
bonds (distance) C4'-P energy: -30.975
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -40.583
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: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -557.543475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.543475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.543475 (E_RNA)
where:
Base-Base interactions energy: -376.314
where: short stacking energy: -153.325
Base-Backbone interact. energy: -0.508
local terms energy: -180.721263
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -33.074
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: -43.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -445.411808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.411808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.411808 (E_RNA)
where:
Base-Base interactions energy: -296.953
where: short stacking energy: -122.982
Base-Backbone interact. energy: -3.631
local terms energy: -144.828140
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -395.819980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.819980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.819980 (E_RNA)
where:
Base-Base interactions energy: -255.674
where: short stacking energy: -110.685
Base-Backbone interact. energy: -1.010
local terms energy: -139.136499
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -403.881897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.881897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.881897 (E_RNA)
where:
Base-Base interactions energy: -265.855
where: short stacking energy: -122.789
Base-Backbone interact. energy: -0.914
local terms energy: -137.113685
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -32.758
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -31.251
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: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -309.359316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.359316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.359316 (E_RNA)
where:
Base-Base interactions energy: -173.670
where: short stacking energy: -82.089
Base-Backbone interact. energy: -0.491
local terms energy: -135.198689
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -39.117
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -14.387
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: 204
Temperature: 1.250000
Total energy: -322.617244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.617244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.617244 (E_RNA)
where:
Base-Base interactions energy: -209.391
where: short stacking energy: -84.498
Base-Backbone interact. energy: -0.503
local terms energy: -113.385895
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.663 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -205.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.408719 (E_RNA)
where:
Base-Base interactions energy: -89.957
where: short stacking energy: -63.924
Base-Backbone interact. energy: 0.868
local terms energy: -116.319447
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -2.281
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: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -225.248485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.248485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.248485 (E_RNA)
where:
Base-Base interactions energy: -114.671
where: short stacking energy: -60.730
Base-Backbone interact. energy: 0.906
local terms energy: -111.482965
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -34.153
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: 1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -605.015173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.015173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.015173 (E_RNA)
where:
Base-Base interactions energy: -424.320
where: short stacking energy: -163.734
Base-Backbone interact. energy: -0.742
local terms energy: -179.952692
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -39.080
flat angles C4'-P-C4' energy: -37.391
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -45.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -596.574287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.574287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.574287 (E_RNA)
where:
Base-Base interactions energy: -422.184
where: short stacking energy: -167.134
Base-Backbone interact. energy: -1.921
local terms energy: -172.468874
where:
bonds (distance) C4'-P energy: -33.130
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -45.672
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: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -555.787911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.787911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.787911 (E_RNA)
where:
Base-Base interactions energy: -393.871
where: short stacking energy: -147.310
Base-Backbone interact. energy: -1.131
local terms energy: -160.785351
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -38.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -433.951444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.951444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.951444 (E_RNA)
where:
Base-Base interactions energy: -287.606
where: short stacking energy: -116.604
Base-Backbone interact. energy: -1.077
local terms energy: -145.268077
where:
bonds (distance) C4'-P energy: -32.243
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -26.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -428.162331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.162331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.162331 (E_RNA)
where:
Base-Base interactions energy: -281.074
where: short stacking energy: -113.652
Base-Backbone interact. energy: -1.097
local terms energy: -145.990998
where:
bonds (distance) C4'-P energy: -32.755
bonds (distance) P-C4' energy: -27.787
flat angles C4'-P-C4' energy: -34.563
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -371.066138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.066138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.066138 (E_RNA)
where:
Base-Base interactions energy: -221.591
where: short stacking energy: -106.973
Base-Backbone interact. energy: -0.599
local terms energy: -148.875634
where:
bonds (distance) C4'-P energy: -30.489
bonds (distance) P-C4' energy: -33.180
flat angles C4'-P-C4' energy: -37.572
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -26.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -319.961395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.961395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.961395 (E_RNA)
where:
Base-Base interactions energy: -187.634
where: short stacking energy: -89.961
Base-Backbone interact. energy: -0.552
local terms energy: -131.775728
where:
bonds (distance) C4'-P energy: -26.579
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -16.155
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: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -298.014455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.014455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.014455 (E_RNA)
where:
Base-Base interactions energy: -171.016
where: short stacking energy: -69.057
Base-Backbone interact. energy: 0.696
local terms energy: -128.142393
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -37.728
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.448 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -187.587738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.587738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.587738 (E_RNA)
where:
Base-Base interactions energy: -91.583
where: short stacking energy: -59.776
Base-Backbone interact. energy: 2.661
local terms energy: -99.068387
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -29.945
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.403 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -214.193892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.193892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.193892 (E_RNA)
where:
Base-Base interactions energy: -106.099
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.585
local terms energy: -108.803072
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -36.527
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.293 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -620.025688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.025688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.025688 (E_RNA)
where:
Base-Base interactions energy: -437.057
where: short stacking energy: -159.462
Base-Backbone interact. energy: -0.765
local terms energy: -182.203878
where:
bonds (distance) C4'-P energy: -33.394
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -40.248
flat angles P-C4'-P energy: -28.433
tors. eta vs tors. theta energy: -44.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -575.143587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.143587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.143587 (E_RNA)
where:
Base-Base interactions energy: -401.526
where: short stacking energy: -157.906
Base-Backbone interact. energy: -0.962
local terms energy: -172.655631
where:
bonds (distance) C4'-P energy: -30.433
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -46.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -558.138663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.138663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.138663 (E_RNA)
where:
Base-Base interactions energy: -380.805
where: short stacking energy: -145.808
Base-Backbone interact. energy: -0.835
local terms energy: -176.498102
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -35.069
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -40.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -465.409337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.409337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.409337 (E_RNA)
where:
Base-Base interactions energy: -305.257
where: short stacking energy: -137.732
Base-Backbone interact. energy: 0.083
local terms energy: -160.235159
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -38.015
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -32.685
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: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -440.711690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.711690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.711690 (E_RNA)
where:
Base-Base interactions energy: -276.382
where: short stacking energy: -120.681
Base-Backbone interact. energy: -1.638
local terms energy: -162.690886
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -40.674
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -34.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -368.172479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.172479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.172479 (E_RNA)
where:
Base-Base interactions energy: -201.699
where: short stacking energy: -113.535
Base-Backbone interact. energy: -0.311
local terms energy: -166.162763
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -40.829
flat angles C4'-P-C4' energy: -41.742
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -29.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -344.319639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.319639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.319639 (E_RNA)
where:
Base-Base interactions energy: -217.482
where: short stacking energy: -106.590
Base-Backbone interact. energy: -0.129
local terms energy: -126.708212
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -305.611661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.611661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.611661 (E_RNA)
where:
Base-Base interactions energy: -190.453
where: short stacking energy: -73.233
Base-Backbone interact. energy: 0.203
local terms energy: -115.361478
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -31.934
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -218.937962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.937962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.937962 (E_RNA)
where:
Base-Base interactions energy: -118.852
where: short stacking energy: -58.991
Base-Backbone interact. energy: -1.607
local terms energy: -98.478763
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: 2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -225.960160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.960160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.960160 (E_RNA)
where:
Base-Base interactions energy: -113.892
where: short stacking energy: -60.198
Base-Backbone interact. energy: -0.638
local terms energy: -111.430605
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -35.864
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: 4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -622.888765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.888765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.888765 (E_RNA)
where:
Base-Base interactions energy: -434.382
where: short stacking energy: -167.976
Base-Backbone interact. energy: -1.070
local terms energy: -187.436040
where:
bonds (distance) C4'-P energy: -34.825
bonds (distance) P-C4' energy: -38.860
flat angles C4'-P-C4' energy: -38.922
flat angles P-C4'-P energy: -28.047
tors. eta vs tors. theta energy: -46.782
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: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -565.497160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.497160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.497160 (E_RNA)
where:
Base-Base interactions energy: -383.004
where: short stacking energy: -151.086
Base-Backbone interact. energy: 1.902
local terms energy: -184.395725
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -40.788
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -46.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -561.637269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.637269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.637269 (E_RNA)
where:
Base-Base interactions energy: -384.489
where: short stacking energy: -148.190
Base-Backbone interact. energy: -2.408
local terms energy: -174.740081
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -40.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -445.196425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.196425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.196425 (E_RNA)
where:
Base-Base interactions energy: -291.027
where: short stacking energy: -115.699
Base-Backbone interact. energy: -0.779
local terms energy: -153.390287
where:
bonds (distance) C4'-P energy: -32.206
bonds (distance) P-C4' energy: -40.020
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -25.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -411.519099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.519099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.519099 (E_RNA)
where:
Base-Base interactions energy: -260.786
where: short stacking energy: -110.468
Base-Backbone interact. energy: -0.664
local terms energy: -150.069155
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -26.136
tors. eta vs tors. theta energy: -20.018
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: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -332.221759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.221759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.221759 (E_RNA)
where:
Base-Base interactions energy: -201.228
where: short stacking energy: -77.678
Base-Backbone interact. energy: 1.043
local terms energy: -132.175072
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.139 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -320.623881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.623881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.623881 (E_RNA)
where:
Base-Base interactions energy: -198.676
where: short stacking energy: -95.978
Base-Backbone interact. energy: -1.698
local terms energy: -120.249731
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -341.988944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.988944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.988944 (E_RNA)
where:
Base-Base interactions energy: -212.474
where: short stacking energy: -86.080
Base-Backbone interact. energy: 1.022
local terms energy: -130.536627
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -36.924
flat angles C4'-P-C4' energy: -34.513
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -237.071817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.071817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.071817 (E_RNA)
where:
Base-Base interactions energy: -125.230
where: short stacking energy: -62.143
Base-Backbone interact. energy: -1.284
local terms energy: -110.557334
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -31.244
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -12.396
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: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -223.355930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.355930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.355930 (E_RNA)
where:
Base-Base interactions energy: -112.481
where: short stacking energy: -72.229
Base-Backbone interact. energy: -0.247
local terms energy: -110.912421
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -39.007
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.285 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -604.378374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.378374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.378374 (E_RNA)
where:
Base-Base interactions energy: -419.450
where: short stacking energy: -163.767
Base-Backbone interact. energy: -1.406
local terms energy: -183.521903
where:
bonds (distance) C4'-P energy: -33.218
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -38.418
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -45.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -567.563238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.563238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.563238 (E_RNA)
where:
Base-Base interactions energy: -388.515
where: short stacking energy: -154.644
Base-Backbone interact. energy: -1.148
local terms energy: -177.900060
where:
bonds (distance) C4'-P energy: -33.467
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -45.981
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: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -566.080481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.080481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.080481 (E_RNA)
where:
Base-Base interactions energy: -384.564
where: short stacking energy: -154.398
Base-Backbone interact. energy: -0.047
local terms energy: -182.450898
where:
bonds (distance) C4'-P energy: -36.895
bonds (distance) P-C4' energy: -38.047
flat angles C4'-P-C4' energy: -40.950
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: -40.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.981 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -448.391085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.391085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.391085 (E_RNA)
where:
Base-Base interactions energy: -279.703
where: short stacking energy: -132.586
Base-Backbone interact. energy: -1.451
local terms energy: -167.237369
where:
bonds (distance) C4'-P energy: -30.546
bonds (distance) P-C4' energy: -41.082
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -26.904
tors. eta vs tors. theta energy: -34.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -382.911064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.911064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.911064 (E_RNA)
where:
Base-Base interactions energy: -240.194
where: short stacking energy: -115.400
Base-Backbone interact. energy: -2.465
local terms energy: -140.252673
where:
bonds (distance) C4'-P energy: -32.983
bonds (distance) P-C4' energy: -36.001
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -21.180
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: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -409.750826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.750826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.750826 (E_RNA)
where:
Base-Base interactions energy: -266.689
where: short stacking energy: -110.179
Base-Backbone interact. energy: -0.093
local terms energy: -142.969681
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -29.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -354.350767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.350767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.350767 (E_RNA)
where:
Base-Base interactions energy: -220.797
where: short stacking energy: -96.625
Base-Backbone interact. energy: -0.736
local terms energy: -132.817784
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -31.395
flat angles C4'-P-C4' energy: -36.809
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -308.193335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.193335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.193335 (E_RNA)
where:
Base-Base interactions energy: -170.800
where: short stacking energy: -79.567
Base-Backbone interact. energy: 0.204
local terms energy: -137.597344
where:
bonds (distance) C4'-P energy: -34.195
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -229.645578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.645578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.645578 (E_RNA)
where:
Base-Base interactions energy: -122.640
where: short stacking energy: -65.480
Base-Backbone interact. energy: 3.232
local terms energy: -110.237631
where:
bonds (distance) C4'-P energy: -32.610
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -3.969
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: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -238.935205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.935205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.935205 (E_RNA)
where:
Base-Base interactions energy: -122.952
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.282
local terms energy: -115.701786
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -602.578051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.578051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.578051 (E_RNA)
where:
Base-Base interactions energy: -420.791
where: short stacking energy: -156.191
Base-Backbone interact. energy: -1.706
local terms energy: -180.080803
where:
bonds (distance) C4'-P energy: -39.682
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -37.987
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -43.676
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: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -566.580640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.580640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.580640 (E_RNA)
where:
Base-Base interactions energy: -394.913
where: short stacking energy: -161.130
Base-Backbone interact. energy: -0.292
local terms energy: -172.417856
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -37.845
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -45.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.042 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -546.846709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.846709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.846709 (E_RNA)
where:
Base-Base interactions energy: -379.594
where: short stacking energy: -149.891
Base-Backbone interact. energy: -0.829
local terms energy: -166.423860
where:
bonds (distance) C4'-P energy: -30.582
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -43.984
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: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -434.296739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.296739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.296739 (E_RNA)
where:
Base-Base interactions energy: -283.891
where: short stacking energy: -122.199
Base-Backbone interact. energy: -1.743
local terms energy: -148.662569
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -38.477
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -25.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -413.032999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.032999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.032999 (E_RNA)
where:
Base-Base interactions energy: -261.439
where: short stacking energy: -124.801
Base-Backbone interact. energy: -0.500
local terms energy: -151.093947
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -35.452
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: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -396.272276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.272276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.272276 (E_RNA)
where:
Base-Base interactions energy: -251.557
where: short stacking energy: -118.173
Base-Backbone interact. energy: -1.208
local terms energy: -143.506957
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -25.652
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: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -335.065583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.065583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.065583 (E_RNA)
where:
Base-Base interactions energy: -211.386
where: short stacking energy: -87.467
Base-Backbone interact. energy: -2.034
local terms energy: -121.645744
where:
bonds (distance) C4'-P energy: -33.584
bonds (distance) P-C4' energy: -36.076
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -15.629
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: 209
Temperature: 1.250000
Total energy: -342.940724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.940724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.940724 (E_RNA)
where:
Base-Base interactions energy: -222.178
where: short stacking energy: -115.343
Base-Backbone interact. energy: -0.288
local terms energy: -120.473987
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -27.178
flat angles C4'-P-C4' energy: -32.118
flat angles P-C4'-P energy: -17.668
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: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -245.015140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.015140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.015140 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.873
local terms energy: -109.851755
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -217.857790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.857790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.857790 (E_RNA)
where:
Base-Base interactions energy: -97.783
where: short stacking energy: -53.094
Base-Backbone interact. energy: -1.729
local terms energy: -118.346047
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -17.910
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: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -568.632087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.632087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.632087 (E_RNA)
where:
Base-Base interactions energy: -387.926
where: short stacking energy: -157.599
Base-Backbone interact. energy: -0.255
local terms energy: -180.450617
where:
bonds (distance) C4'-P energy: -36.189
bonds (distance) P-C4' energy: -35.017
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -51.546
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: 210
Temperature: 0.950000
Total energy: -597.998592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.998592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.998592 (E_RNA)
where:
Base-Base interactions energy: -427.996
where: short stacking energy: -159.648
Base-Backbone interact. energy: 0.938
local terms energy: -170.940556
where:
bonds (distance) C4'-P energy: -33.588
bonds (distance) P-C4' energy: -38.601
flat angles C4'-P-C4' energy: -30.805
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -44.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -544.891992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.891992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.891992 (E_RNA)
where:
Base-Base interactions energy: -378.806
where: short stacking energy: -146.310
Base-Backbone interact. energy: 0.073
local terms energy: -166.158605
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -37.268
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -34.381
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: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -442.767039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.767039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.767039 (E_RNA)
where:
Base-Base interactions energy: -278.522
where: short stacking energy: -122.492
Base-Backbone interact. energy: 0.515
local terms energy: -164.760765
where:
bonds (distance) C4'-P energy: -38.515
bonds (distance) P-C4' energy: -38.276
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -28.929
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: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -392.554708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.554708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.554708 (E_RNA)
where:
Base-Base interactions energy: -242.485
where: short stacking energy: -107.120
Base-Backbone interact. energy: -1.990
local terms energy: -148.080344
where:
bonds (distance) C4'-P energy: -36.391
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -19.888
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: 210
Temperature: 1.150000
Total energy: -382.788836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.788836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.788836 (E_RNA)
where:
Base-Base interactions energy: -240.592
where: short stacking energy: -103.839
Base-Backbone interact. energy: 3.056
local terms energy: -145.252500
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -27.733
tors. eta vs tors. theta energy: -18.956
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: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -352.103333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.103333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.103333 (E_RNA)
where:
Base-Base interactions energy: -222.508
where: short stacking energy: -96.514
Base-Backbone interact. energy: -1.220
local terms energy: -128.375597
where:
bonds (distance) C4'-P energy: -29.563
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -38.615
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -300.778673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.778673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.778673 (E_RNA)
where:
Base-Base interactions energy: -171.254
where: short stacking energy: -81.932
Base-Backbone interact. energy: -0.967
local terms energy: -128.557725
where:
bonds (distance) C4'-P energy: -37.559
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -232.590644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.590644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.590644 (E_RNA)
where:
Base-Base interactions energy: -132.101
where: short stacking energy: -77.767
Base-Backbone interact. energy: 0.200
local terms energy: -100.689622
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -10.290
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: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -214.829227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.829227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.829227 (E_RNA)
where:
Base-Base interactions energy: -106.639
where: short stacking energy: -54.436
Base-Backbone interact. energy: -0.599
local terms energy: -108.199211
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: 1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.609 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -573.762327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.762327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.762327 (E_RNA)
where:
Base-Base interactions energy: -395.378
where: short stacking energy: -161.076
Base-Backbone interact. energy: -0.180
local terms energy: -180.123207
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -37.492
flat angles C4'-P-C4' energy: -41.111
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: -43.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.919 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -611.020548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.020548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.020548 (E_RNA)
where:
Base-Base interactions energy: -428.029
where: short stacking energy: -163.952
Base-Backbone interact. energy: -1.361
local terms energy: -181.630562
where:
bonds (distance) C4'-P energy: -43.304
bonds (distance) P-C4' energy: -38.175
flat angles C4'-P-C4' energy: -34.948
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -44.695
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: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -552.705263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.705263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.705263 (E_RNA)
where:
Base-Base interactions energy: -380.140
where: short stacking energy: -156.780
Base-Backbone interact. energy: -1.092
local terms energy: -171.474199
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -39.326
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -39.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -430.974320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.974320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.974320 (E_RNA)
where:
Base-Base interactions energy: -268.367
where: short stacking energy: -124.678
Base-Backbone interact. energy: -2.077
local terms energy: -160.530554
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -39.743
flat angles C4'-P-C4' energy: -36.550
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -32.053
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: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -409.457844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.457844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.457844 (E_RNA)
where:
Base-Base interactions energy: -242.529
where: short stacking energy: -102.984
Base-Backbone interact. energy: -1.895
local terms energy: -165.033873
where:
bonds (distance) C4'-P energy: -37.356
bonds (distance) P-C4' energy: -35.370
flat angles C4'-P-C4' energy: -37.738
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -363.064600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.064600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.064600 (E_RNA)
where:
Base-Base interactions energy: -235.523
where: short stacking energy: -107.689
Base-Backbone interact. energy: 1.764
local terms energy: -129.305732
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -32.609
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -20.345
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: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -351.935214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.935214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.935214 (E_RNA)
where:
Base-Base interactions energy: -225.032
where: short stacking energy: -80.981
Base-Backbone interact. energy: -2.568
local terms energy: -124.335390
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -319.498832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.498832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.498832 (E_RNA)
where:
Base-Base interactions energy: -182.667
where: short stacking energy: -72.723
Base-Backbone interact. energy: 1.153
local terms energy: -137.985440
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -37.154
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -232.856678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.856678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.856678 (E_RNA)
where:
Base-Base interactions energy: -130.252
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.369
local terms energy: -102.235569
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -215.316073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.316073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.316073 (E_RNA)
where:
Base-Base interactions energy: -108.538
where: short stacking energy: -55.104
Base-Backbone interact. energy: 0.386
local terms energy: -107.164069
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -574.246519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.246519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.246519 (E_RNA)
where:
Base-Base interactions energy: -395.405
where: short stacking energy: -156.014
Base-Backbone interact. energy: -1.188
local terms energy: -177.653867
where:
bonds (distance) C4'-P energy: -38.501
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -24.145
tors. eta vs tors. theta energy: -45.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -584.750615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.750615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.750615 (E_RNA)
where:
Base-Base interactions energy: -412.773
where: short stacking energy: -159.646
Base-Backbone interact. energy: 2.803
local terms energy: -174.780275
where:
bonds (distance) C4'-P energy: -32.905
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -28.713
tors. eta vs tors. theta energy: -45.342
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: 212
Temperature: 1.000000
Total energy: -531.277432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.277432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.277432 (E_RNA)
where:
Base-Base interactions energy: -364.887
where: short stacking energy: -139.573
Base-Backbone interact. energy: -0.682
local terms energy: -165.707939
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -39.142
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: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -470.758272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.758272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.758272 (E_RNA)
where:
Base-Base interactions energy: -306.423
where: short stacking energy: -139.862
Base-Backbone interact. energy: -0.986
local terms energy: -163.349930
where:
bonds (distance) C4'-P energy: -32.851
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -40.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -385.172213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.172213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.172213 (E_RNA)
where:
Base-Base interactions energy: -235.917
where: short stacking energy: -101.683
Base-Backbone interact. energy: -1.093
local terms energy: -148.161753
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -33.807
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -28.996
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: 6, replica: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -370.741209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.741209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.741209 (E_RNA)
where:
Base-Base interactions energy: -230.778
where: short stacking energy: -114.149
Base-Backbone interact. energy: -0.498
local terms energy: -139.465544
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -36.291
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -365.133757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.133757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.133757 (E_RNA)
where:
Base-Base interactions energy: -230.971
where: short stacking energy: -96.543
Base-Backbone interact. energy: 0.955
local terms energy: -135.118544
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -305.243828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.243828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.243828 (E_RNA)
where:
Base-Base interactions energy: -185.286
where: short stacking energy: -81.338
Base-Backbone interact. energy: -0.962
local terms energy: -118.995454
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -11.943
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: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -250.762140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.762140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.762140 (E_RNA)
where:
Base-Base interactions energy: -121.907
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.891
local terms energy: -127.963360
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -8.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -219.390132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.390132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.390132 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -62.234
Base-Backbone interact. energy: 0.083
local terms energy: -108.986265
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: 3.921
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: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -566.873303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.873303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.873303 (E_RNA)
where:
Base-Base interactions energy: -386.725
where: short stacking energy: -156.482
Base-Backbone interact. energy: -1.815
local terms energy: -178.476345
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -34.011
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -43.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.143 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -588.874396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.874396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.874396 (E_RNA)
where:
Base-Base interactions energy: -405.862
where: short stacking energy: -158.828
Base-Backbone interact. energy: -0.074
local terms energy: -182.937625
where:
bonds (distance) C4'-P energy: -36.420
bonds (distance) P-C4' energy: -42.379
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -26.133
tors. eta vs tors. theta energy: -47.178
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: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -553.206259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.206259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.206259 (E_RNA)
where:
Base-Base interactions energy: -379.243
where: short stacking energy: -138.891
Base-Backbone interact. energy: -2.154
local terms energy: -171.809285
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -40.648
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -38.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -473.199558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.199558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.199558 (E_RNA)
where:
Base-Base interactions energy: -316.239
where: short stacking energy: -128.513
Base-Backbone interact. energy: -1.110
local terms energy: -155.850310
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -34.806
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -27.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -383.187461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.187461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.187461 (E_RNA)
where:
Base-Base interactions energy: -232.802
where: short stacking energy: -98.658
Base-Backbone interact. energy: -1.641
local terms energy: -148.743753
where:
bonds (distance) C4'-P energy: -33.129
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -25.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -369.318474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.318474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.318474 (E_RNA)
where:
Base-Base interactions energy: -230.662
where: short stacking energy: -107.482
Base-Backbone interact. energy: -0.545
local terms energy: -138.111254
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -34.326
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -27.463
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: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -310.255034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.255034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.255034 (E_RNA)
where:
Base-Base interactions energy: -177.998
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.696
local terms energy: -131.561780
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -21.056
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: 213
Temperature: 1.250000
Total energy: -318.809410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.809410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.809410 (E_RNA)
where:
Base-Base interactions energy: -205.066
where: short stacking energy: -80.901
Base-Backbone interact. energy: -0.473
local terms energy: -113.270140
where:
bonds (distance) C4'-P energy: -29.697
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -30.953
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -14.306
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: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -222.853336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.853336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.853336 (E_RNA)
where:
Base-Base interactions energy: -111.376
where: short stacking energy: -63.097
Base-Backbone interact. energy: -0.774
local terms energy: -110.940586
where:
bonds (distance) C4'-P energy: -31.900
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.237 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -214.340910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.340910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.340910 (E_RNA)
where:
Base-Base interactions energy: -118.892
where: short stacking energy: -72.824
Base-Backbone interact. energy: 0.969
local terms energy: -97.156627
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -35.174
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.739 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -609.724442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.724442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.724442 (E_RNA)
where:
Base-Base interactions energy: -431.249
where: short stacking energy: -165.884
Base-Backbone interact. energy: 0.177
local terms energy: -178.652806
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -37.513
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -47.281
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: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -563.881055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.881055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.881055 (E_RNA)
where:
Base-Base interactions energy: -392.292
where: short stacking energy: -158.595
Base-Backbone interact. energy: -0.921
local terms energy: -170.727979
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -37.605
flat angles P-C4'-P energy: -26.516
tors. eta vs tors. theta energy: -41.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.060 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -534.384500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.384500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.384500 (E_RNA)
where:
Base-Base interactions energy: -385.154
where: short stacking energy: -159.617
Base-Backbone interact. energy: -0.730
local terms energy: -148.500307
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -31.099
flat angles C4'-P-C4' energy: -39.278
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -39.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -472.933515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.933515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.933515 (E_RNA)
where:
Base-Base interactions energy: -340.844
where: short stacking energy: -136.085
Base-Backbone interact. energy: -1.186
local terms energy: -130.903814
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -31.975
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -29.399
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: 214
Temperature: 1.100000
Total energy: -396.371066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.371066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.371066 (E_RNA)
where:
Base-Base interactions energy: -242.706
where: short stacking energy: -118.037
Base-Backbone interact. energy: -1.138
local terms energy: -152.527090
where:
bonds (distance) C4'-P energy: -32.487
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -36.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -336.986190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.986190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.986190 (E_RNA)
where:
Base-Base interactions energy: -204.359
where: short stacking energy: -84.352
Base-Backbone interact. energy: -0.484
local terms energy: -132.143421
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -31.243
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -313.694301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.694301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.694301 (E_RNA)
where:
Base-Base interactions energy: -179.414
where: short stacking energy: -89.359
Base-Backbone interact. energy: 1.068
local terms energy: -135.348727
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -38.009
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -14.900
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: 214
Temperature: 1.250000
Total energy: -300.503507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.503507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.503507 (E_RNA)
where:
Base-Base interactions energy: -163.704
where: short stacking energy: -76.970
Base-Backbone interact. energy: -0.760
local terms energy: -136.039617
where:
bonds (distance) C4'-P energy: -32.390
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -236.018783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.018783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.018783 (E_RNA)
where:
Base-Base interactions energy: -122.065
where: short stacking energy: -58.302
Base-Backbone interact. energy: -0.637
local terms energy: -113.316160
where:
bonds (distance) C4'-P energy: -26.276
bonds (distance) P-C4' energy: -33.834
flat angles C4'-P-C4' energy: -29.136
flat angles P-C4'-P energy: -19.840
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: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -177.709229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.709229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.709229 (E_RNA)
where:
Base-Base interactions energy: -69.196
where: short stacking energy: -43.480
Base-Backbone interact. energy: -0.807
local terms energy: -107.705338
where:
bonds (distance) C4'-P energy: -36.754
bonds (distance) P-C4' energy: -37.146
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: 3.100
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: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -611.019672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.019672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.019672 (E_RNA)
where:
Base-Base interactions energy: -430.153
where: short stacking energy: -167.102
Base-Backbone interact. energy: -0.952
local terms energy: -179.914765
where:
bonds (distance) C4'-P energy: -35.862
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -26.449
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: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -541.895719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.895719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.895719 (E_RNA)
where:
Base-Base interactions energy: -362.699
where: short stacking energy: -145.620
Base-Backbone interact. energy: -1.464
local terms energy: -177.732629
where:
bonds (distance) C4'-P energy: -33.857
bonds (distance) P-C4' energy: -36.531
flat angles C4'-P-C4' energy: -39.524
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -44.034
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: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -536.588324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.588324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.588324 (E_RNA)
where:
Base-Base interactions energy: -372.686
where: short stacking energy: -138.415
Base-Backbone interact. energy: -0.095
local terms energy: -163.807011
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -37.676
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -39.064
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: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -452.562778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.562778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.562778 (E_RNA)
where:
Base-Base interactions energy: -298.260
where: short stacking energy: -129.129
Base-Backbone interact. energy: -0.894
local terms energy: -153.408435
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -28.518
tors. eta vs tors. theta energy: -28.428
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: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -373.278971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.278971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.278971 (E_RNA)
where:
Base-Base interactions energy: -229.305
where: short stacking energy: -111.515
Base-Backbone interact. energy: -0.334
local terms energy: -143.640426
where:
bonds (distance) C4'-P energy: -28.121
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -32.898
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -319.224805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.224805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.224805 (E_RNA)
where:
Base-Base interactions energy: -181.854
where: short stacking energy: -92.838
Base-Backbone interact. energy: -1.024
local terms energy: -137.177243
where:
bonds (distance) C4'-P energy: -33.344
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -37.319
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.831 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -372.071765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.071765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.071765 (E_RNA)
where:
Base-Base interactions energy: -221.593
where: short stacking energy: -93.155
Base-Backbone interact. energy: -0.334
local terms energy: -150.144758
where:
bonds (distance) C4'-P energy: -36.176
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -21.026
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: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -315.475537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.475537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.475537 (E_RNA)
where:
Base-Base interactions energy: -193.266
where: short stacking energy: -97.571
Base-Backbone interact. energy: -0.982
local terms energy: -121.227743
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -25.934
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -248.109426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.109426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.109426 (E_RNA)
where:
Base-Base interactions energy: -128.215
where: short stacking energy: -82.596
Base-Backbone interact. energy: -0.457
local terms energy: -119.436884
where:
bonds (distance) C4'-P energy: -34.579
bonds (distance) P-C4' energy: -31.520
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -13.815
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: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -158.114875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.114875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.114875 (E_RNA)
where:
Base-Base interactions energy: -54.120
where: short stacking energy: -43.077
Base-Backbone interact. energy: -0.286
local terms energy: -103.708580
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: 9.096
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: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -606.149630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.149630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.149630 (E_RNA)
where:
Base-Base interactions energy: -425.045
where: short stacking energy: -161.422
Base-Backbone interact. energy: -1.801
local terms energy: -179.335674
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -39.619
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -49.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.032 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -536.041787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.041787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.041787 (E_RNA)
where:
Base-Base interactions energy: -368.245
where: short stacking energy: -145.487
Base-Backbone interact. energy: -0.510
local terms energy: -167.287359
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -38.579
flat angles C4'-P-C4' energy: -42.305
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -34.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -557.216436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.216436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.216436 (E_RNA)
where:
Base-Base interactions energy: -381.025
where: short stacking energy: -153.357
Base-Backbone interact. energy: -0.691
local terms energy: -175.500826
where:
bonds (distance) C4'-P energy: -36.623
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -38.779
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -42.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -444.526589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.526589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.526589 (E_RNA)
where:
Base-Base interactions energy: -286.364
where: short stacking energy: -118.479
Base-Backbone interact. energy: -1.155
local terms energy: -157.007484
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -43.144
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -29.288
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: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -367.227075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.227075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.227075 (E_RNA)
where:
Base-Base interactions energy: -219.789
where: short stacking energy: -97.036
Base-Backbone interact. energy: -0.878
local terms energy: -146.559995
where:
bonds (distance) C4'-P energy: -35.155
bonds (distance) P-C4' energy: -32.828
flat angles C4'-P-C4' energy: -35.946
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -361.608927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.608927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.608927 (E_RNA)
where:
Base-Base interactions energy: -219.900
where: short stacking energy: -99.023
Base-Backbone interact. energy: -0.162
local terms energy: -141.767535
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -26.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.221 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -348.765886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.765886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.765886 (E_RNA)
where:
Base-Base interactions energy: -208.811
where: short stacking energy: -87.922
Base-Backbone interact. energy: -1.608
local terms energy: -138.347431
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -30.528
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -25.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -299.230687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.230687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.230687 (E_RNA)
where:
Base-Base interactions energy: -176.308
where: short stacking energy: -77.259
Base-Backbone interact. energy: -0.571
local terms energy: -122.352154
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -13.616
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: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -226.926879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.926879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.926879 (E_RNA)
where:
Base-Base interactions energy: -121.974
where: short stacking energy: -74.480
Base-Backbone interact. energy: -0.735
local terms energy: -105.631211
where:
bonds (distance) C4'-P energy: -26.903
bonds (distance) P-C4' energy: -26.616
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.413 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -168.802621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.802621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.802621 (E_RNA)
where:
Base-Base interactions energy: -59.720
where: short stacking energy: -57.362
Base-Backbone interact. energy: 0.015
local terms energy: -109.097929
where:
bonds (distance) C4'-P energy: -25.859
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -601.058560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.058560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.058560 (E_RNA)
where:
Base-Base interactions energy: -427.121
where: short stacking energy: -165.556
Base-Backbone interact. energy: -0.713
local terms energy: -173.224497
where:
bonds (distance) C4'-P energy: -31.830
bonds (distance) P-C4' energy: -38.608
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -42.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -563.061408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.061408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.061408 (E_RNA)
where:
Base-Base interactions energy: -375.836
where: short stacking energy: -152.277
Base-Backbone interact. energy: -0.052
local terms energy: -187.173219
where:
bonds (distance) C4'-P energy: -39.806
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -40.175
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -44.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -539.716488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.716488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.716488 (E_RNA)
where:
Base-Base interactions energy: -355.277
where: short stacking energy: -140.646
Base-Backbone interact. energy: -3.678
local terms energy: -180.761162
where:
bonds (distance) C4'-P energy: -36.356
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -41.635
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -36.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -473.403090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.403090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.403090 (E_RNA)
where:
Base-Base interactions energy: -310.588
where: short stacking energy: -123.174
Base-Backbone interact. energy: 0.134
local terms energy: -162.949299
where:
bonds (distance) C4'-P energy: -32.648
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -37.412
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -34.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -376.366876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.366876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.366876 (E_RNA)
where:
Base-Base interactions energy: -227.546
where: short stacking energy: -117.280
Base-Backbone interact. energy: -0.691
local terms energy: -148.129754
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -31.929
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: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -344.557558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.557558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.557558 (E_RNA)
where:
Base-Base interactions energy: -192.212
where: short stacking energy: -97.295
Base-Backbone interact. energy: -0.225
local terms energy: -152.120148
where:
bonds (distance) C4'-P energy: -39.905
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -26.670
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: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -345.347327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.347327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.347327 (E_RNA)
where:
Base-Base interactions energy: -201.085
where: short stacking energy: -95.781
Base-Backbone interact. energy: -0.854
local terms energy: -143.408003
where:
bonds (distance) C4'-P energy: -31.110
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -24.304
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: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -306.865582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.865582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.865582 (E_RNA)
where:
Base-Base interactions energy: -182.242
where: short stacking energy: -71.443
Base-Backbone interact. energy: -1.365
local terms energy: -123.258154
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -7.872
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: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -225.583483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.583483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.583483 (E_RNA)
where:
Base-Base interactions energy: -114.062
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.889
local terms energy: -111.251706
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.620 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -161.507566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.507566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.507566 (E_RNA)
where:
Base-Base interactions energy: -78.625
where: short stacking energy: -26.791
Base-Backbone interact. energy: 0.639
local terms energy: -83.521437
where:
bonds (distance) C4'-P energy: -35.810
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: 14.298
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -615.455098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.455098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.455098 (E_RNA)
where:
Base-Base interactions energy: -425.297
where: short stacking energy: -168.531
Base-Backbone interact. energy: -0.788
local terms energy: -189.511409
where:
bonds (distance) C4'-P energy: -32.854
bonds (distance) P-C4' energy: -41.460
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -49.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.142 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -568.149360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.149360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.149360 (E_RNA)
where:
Base-Base interactions energy: -395.406
where: short stacking energy: -163.590
Base-Backbone interact. energy: 1.157
local terms energy: -173.900042
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -33.552
flat angles C4'-P-C4' energy: -40.004
flat angles P-C4'-P energy: -31.669
tors. eta vs tors. theta energy: -39.994
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: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -535.853708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.853708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.853708 (E_RNA)
where:
Base-Base interactions energy: -363.034
where: short stacking energy: -140.606
Base-Backbone interact. energy: 0.228
local terms energy: -173.047979
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -35.459
flat angles C4'-P-C4' energy: -37.541
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -42.268
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: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -457.800334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.800334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.800334 (E_RNA)
where:
Base-Base interactions energy: -292.540
where: short stacking energy: -136.655
Base-Backbone interact. energy: -0.974
local terms energy: -164.285850
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -40.749
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -39.411
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: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -364.887977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.887977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.887977 (E_RNA)
where:
Base-Base interactions energy: -228.155
where: short stacking energy: -115.089
Base-Backbone interact. energy: 0.913
local terms energy: -137.645899
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -28.798
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: 218
Temperature: 1.150000
Total energy: -382.202470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.202470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.202470 (E_RNA)
where:
Base-Base interactions energy: -223.573
where: short stacking energy: -106.986
Base-Backbone interact. energy: -1.477
local terms energy: -157.152568
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -32.750
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: -33.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -345.194461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.194461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.194461 (E_RNA)
where:
Base-Base interactions energy: -206.219
where: short stacking energy: -102.859
Base-Backbone interact. energy: -1.285
local terms energy: -137.690336
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -31.780
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -29.126
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: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -291.788981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.788981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.788981 (E_RNA)
where:
Base-Base interactions energy: -161.840
where: short stacking energy: -65.544
Base-Backbone interact. energy: 0.695
local terms energy: -130.644075
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -39.096
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -9.767
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -297.379437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.379437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.379437 (E_RNA)
where:
Base-Base interactions energy: -175.421
where: short stacking energy: -82.480
Base-Backbone interact. energy: -1.166
local terms energy: -120.792857
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -14.229
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: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -163.479293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.479293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.479293 (E_RNA)
where:
Base-Base interactions energy: -79.399
where: short stacking energy: -52.853
Base-Backbone interact. energy: 1.048
local terms energy: -85.128174
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -591.077166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.077166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.077166 (E_RNA)
where:
Base-Base interactions energy: -404.090
where: short stacking energy: -158.376
Base-Backbone interact. energy: 0.316
local terms energy: -187.303168
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -38.764
flat angles C4'-P-C4' energy: -40.568
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: -43.140
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: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -570.897011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.897011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.897011 (E_RNA)
where:
Base-Base interactions energy: -390.021
where: short stacking energy: -153.542
Base-Backbone interact. energy: -0.357
local terms energy: -180.518526
where:
bonds (distance) C4'-P energy: -38.094
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -38.615
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -47.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -548.666728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.666728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.666728 (E_RNA)
where:
Base-Base interactions energy: -377.334
where: short stacking energy: -141.833
Base-Backbone interact. energy: -2.378
local terms energy: -168.954678
where:
bonds (distance) C4'-P energy: -30.689
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -41.047
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: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -483.237026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.237026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.237026 (E_RNA)
where:
Base-Base interactions energy: -320.328
where: short stacking energy: -131.368
Base-Backbone interact. energy: 0.884
local terms energy: -163.792994
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -38.984
flat angles C4'-P-C4' energy: -34.884
flat angles P-C4'-P energy: -27.876
tors. eta vs tors. theta energy: -31.762
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: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -408.149724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.149724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.149724 (E_RNA)
where:
Base-Base interactions energy: -261.752
where: short stacking energy: -100.630
Base-Backbone interact. energy: -0.677
local terms energy: -145.720212
where:
bonds (distance) C4'-P energy: -38.465
bonds (distance) P-C4' energy: -33.041
flat angles C4'-P-C4' energy: -36.679
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -344.131745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.131745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.131745 (E_RNA)
where:
Base-Base interactions energy: -201.055
where: short stacking energy: -88.563
Base-Backbone interact. energy: -0.734
local terms energy: -142.342954
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -21.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -327.280847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.280847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.280847 (E_RNA)
where:
Base-Base interactions energy: -208.649
where: short stacking energy: -102.515
Base-Backbone interact. energy: -0.732
local terms energy: -117.899763
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -277.460980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.460980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.460980 (E_RNA)
where:
Base-Base interactions energy: -158.397
where: short stacking energy: -72.912
Base-Backbone interact. energy: -0.741
local terms energy: -118.322723
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -315.983768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.983768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.983768 (E_RNA)
where:
Base-Base interactions energy: -191.330
where: short stacking energy: -97.573
Base-Backbone interact. energy: -2.558
local terms energy: -122.096019
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -12.336
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: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -187.765294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.765294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.765294 (E_RNA)
where:
Base-Base interactions energy: -89.473
where: short stacking energy: -48.595
Base-Backbone interact. energy: 2.684
local terms energy: -100.975889
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -10.954
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: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -599.828838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.828838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.828838 (E_RNA)
where:
Base-Base interactions energy: -430.305
where: short stacking energy: -170.909
Base-Backbone interact. energy: 1.431
local terms energy: -171.451046
where:
bonds (distance) C4'-P energy: -35.153
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: -43.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.497 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -575.720247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.720247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.720247 (E_RNA)
where:
Base-Base interactions energy: -390.894
where: short stacking energy: -162.282
Base-Backbone interact. energy: -0.157
local terms energy: -184.669396
where:
bonds (distance) C4'-P energy: -38.345
bonds (distance) P-C4' energy: -37.065
flat angles C4'-P-C4' energy: -36.773
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -45.301
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: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -540.785217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.785217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.785217 (E_RNA)
where:
Base-Base interactions energy: -362.588
where: short stacking energy: -141.124
Base-Backbone interact. energy: -0.547
local terms energy: -177.649988
where:
bonds (distance) C4'-P energy: -37.317
bonds (distance) P-C4' energy: -35.173
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -41.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -473.596212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.596212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.596212 (E_RNA)
where:
Base-Base interactions energy: -304.655
where: short stacking energy: -150.933
Base-Backbone interact. energy: -2.490
local terms energy: -166.451246
where:
bonds (distance) C4'-P energy: -36.173
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -33.509
flat angles P-C4'-P energy: -27.971
tors. eta vs tors. theta energy: -39.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -421.467256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.467256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.467256 (E_RNA)
where:
Base-Base interactions energy: -266.166
where: short stacking energy: -118.079
Base-Backbone interact. energy: -2.390
local terms energy: -152.911866
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -40.191
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -339.273504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.273504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.273504 (E_RNA)
where:
Base-Base interactions energy: -187.983
where: short stacking energy: -94.105
Base-Backbone interact. energy: -0.187
local terms energy: -151.103302
where:
bonds (distance) C4'-P energy: -29.866
bonds (distance) P-C4' energy: -38.760
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -25.320
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: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -306.391174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.391174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.391174 (E_RNA)
where:
Base-Base interactions energy: -184.411
where: short stacking energy: -81.001
Base-Backbone interact. energy: -1.676
local terms energy: -120.425754
where:
bonds (distance) C4'-P energy: -28.033
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.122 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -279.963487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.963487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.963487 (E_RNA)
where:
Base-Base interactions energy: -160.877
where: short stacking energy: -72.696
Base-Backbone interact. energy: -0.630
local terms energy: -118.456727
where:
bonds (distance) C4'-P energy: -26.235
bonds (distance) P-C4' energy: -42.076
flat angles C4'-P-C4' energy: -30.096
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -297.796884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.796884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.796884 (E_RNA)
where:
Base-Base interactions energy: -189.545
where: short stacking energy: -92.142
Base-Backbone interact. energy: -0.254
local terms energy: -107.997618
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -14.333
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: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -196.378751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.378751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.378751 (E_RNA)
where:
Base-Base interactions energy: -100.509
where: short stacking energy: -52.370
Base-Backbone interact. energy: 2.037
local terms energy: -97.906346
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: 8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -600.995466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.995466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.995466 (E_RNA)
where:
Base-Base interactions energy: -417.876
where: short stacking energy: -166.175
Base-Backbone interact. energy: -1.429
local terms energy: -181.690718
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -40.602
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -46.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -569.996148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.996148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.996148 (E_RNA)
where:
Base-Base interactions energy: -380.170
where: short stacking energy: -163.311
Base-Backbone interact. energy: -1.426
local terms energy: -188.399758
where:
bonds (distance) C4'-P energy: -33.265
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: -47.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -529.415385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.415385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.415385 (E_RNA)
where:
Base-Base interactions energy: -362.916
where: short stacking energy: -145.964
Base-Backbone interact. energy: -0.769
local terms energy: -165.730897
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -35.289
flat angles C4'-P-C4' energy: -37.476
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -36.839
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: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -484.448883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.448883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.448883 (E_RNA)
where:
Base-Base interactions energy: -326.032
where: short stacking energy: -149.093
Base-Backbone interact. energy: -1.451
local terms energy: -156.966106
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -33.924
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -22.233
tors. eta vs tors. theta energy: -36.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -406.215094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.215094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.215094 (E_RNA)
where:
Base-Base interactions energy: -246.076
where: short stacking energy: -113.364
Base-Backbone interact. energy: 0.700
local terms energy: -160.839963
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -34.274
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: -30.088
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: 221
Temperature: 1.150000
Total energy: -338.331785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.331785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.331785 (E_RNA)
where:
Base-Base interactions energy: -207.363
where: short stacking energy: -94.450
Base-Backbone interact. energy: 0.114
local terms energy: -131.083221
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -326.533353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.533353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.533353 (E_RNA)
where:
Base-Base interactions energy: -193.281
where: short stacking energy: -95.845
Base-Backbone interact. energy: 1.574
local terms energy: -134.826870
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -24.679
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: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -265.515989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.515989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.515989 (E_RNA)
where:
Base-Base interactions energy: -162.440
where: short stacking energy: -77.098
Base-Backbone interact. energy: 4.782
local terms energy: -107.858481
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -4.968
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: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -231.671756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.671756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.671756 (E_RNA)
where:
Base-Base interactions energy: -133.005
where: short stacking energy: -68.518
Base-Backbone interact. energy: 0.050
local terms energy: -98.717477
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -29.911
flat angles C4'-P-C4' energy: -27.092
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -2.475
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: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -212.676024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.676024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.676024 (E_RNA)
where:
Base-Base interactions energy: -103.256
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.310
local terms energy: -109.110275
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -31.882
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -600.415743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.415743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.415743 (E_RNA)
where:
Base-Base interactions energy: -416.488
where: short stacking energy: -166.213
Base-Backbone interact. energy: -0.497
local terms energy: -183.430516
where:
bonds (distance) C4'-P energy: -33.923
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -38.721
flat angles P-C4'-P energy: -22.814
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: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -566.666581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.666581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.666581 (E_RNA)
where:
Base-Base interactions energy: -396.413
where: short stacking energy: -159.790
Base-Backbone interact. energy: -1.551
local terms energy: -168.702591
where:
bonds (distance) C4'-P energy: -37.000
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -34.358
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -40.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -517.998097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.998097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.998097 (E_RNA)
where:
Base-Base interactions energy: -357.318
where: short stacking energy: -134.199
Base-Backbone interact. energy: -0.455
local terms energy: -160.225669
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -38.584
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -39.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -469.127543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.127543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.127543 (E_RNA)
where:
Base-Base interactions energy: -311.458
where: short stacking energy: -149.652
Base-Backbone interact. energy: -0.690
local terms energy: -156.979311
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -36.310
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: -42.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -414.208553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.208553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.208553 (E_RNA)
where:
Base-Base interactions energy: -263.158
where: short stacking energy: -117.626
Base-Backbone interact. energy: -0.815
local terms energy: -150.235952
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -25.828
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: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -326.641780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.641780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.641780 (E_RNA)
where:
Base-Base interactions energy: -196.139
where: short stacking energy: -98.185
Base-Backbone interact. energy: 0.717
local terms energy: -131.219378
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -34.105
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -378.747312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.747312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.747312 (E_RNA)
where:
Base-Base interactions energy: -231.563
where: short stacking energy: -115.559
Base-Backbone interact. energy: -0.583
local terms energy: -146.600972
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -32.919
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -15.226
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: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -325.112112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.112112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.112112 (E_RNA)
where:
Base-Base interactions energy: -218.874
where: short stacking energy: -83.039
Base-Backbone interact. energy: 0.284
local terms energy: -106.521519
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -30.181
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -230.484662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.484662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.484662 (E_RNA)
where:
Base-Base interactions energy: -117.637
where: short stacking energy: -70.299
Base-Backbone interact. energy: 0.730
local terms energy: -113.577459
where:
bonds (distance) C4'-P energy: -29.424
bonds (distance) P-C4' energy: -35.999
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -8.180
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: 222
Temperature: 1.350000
Total energy: -208.981528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.981528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.981528 (E_RNA)
where:
Base-Base interactions energy: -114.390
where: short stacking energy: -56.524
Base-Backbone interact. energy: -0.743
local terms energy: -94.665276
where:
bonds (distance) C4'-P energy: -28.342
bonds (distance) P-C4' energy: -34.683
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: 2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.817 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -587.706643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.706643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.706643 (E_RNA)
where:
Base-Base interactions energy: -407.561
where: short stacking energy: -166.966
Base-Backbone interact. energy: -0.587
local terms energy: -179.558660
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -37.259
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -25.024
tors. eta vs tors. theta energy: -45.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -580.235006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.235006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.235006 (E_RNA)
where:
Base-Base interactions energy: -402.215
where: short stacking energy: -163.954
Base-Backbone interact. energy: -0.203
local terms energy: -177.840857
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -38.176
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -40.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -535.124527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.124527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.124527 (E_RNA)
where:
Base-Base interactions energy: -365.239
where: short stacking energy: -154.061
Base-Backbone interact. energy: -2.226
local terms energy: -167.658764
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -41.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -449.828711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.828711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.828711 (E_RNA)
where:
Base-Base interactions energy: -292.797
where: short stacking energy: -114.143
Base-Backbone interact. energy: -0.781
local terms energy: -156.251500
where:
bonds (distance) C4'-P energy: -35.340
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -28.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -413.459389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.459389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.459389 (E_RNA)
where:
Base-Base interactions energy: -261.325
where: short stacking energy: -119.667
Base-Backbone interact. energy: -0.115
local terms energy: -152.020123
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -29.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -370.769417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.769417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.769417 (E_RNA)
where:
Base-Base interactions energy: -214.338
where: short stacking energy: -98.003
Base-Backbone interact. energy: 2.009
local terms energy: -158.440830
where:
bonds (distance) C4'-P energy: -36.260
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -33.165
flat angles P-C4'-P energy: -26.798
tors. eta vs tors. theta energy: -25.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -328.230146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.230146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.230146 (E_RNA)
where:
Base-Base interactions energy: -195.071
where: short stacking energy: -90.823
Base-Backbone interact. energy: 1.233
local terms energy: -134.391543
where:
bonds (distance) C4'-P energy: -30.960
bonds (distance) P-C4' energy: -34.468
flat angles C4'-P-C4' energy: -28.986
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -287.887459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.887459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.887459 (E_RNA)
where:
Base-Base interactions energy: -165.214
where: short stacking energy: -71.230
Base-Backbone interact. energy: -1.137
local terms energy: -121.536491
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -37.766
flat angles C4'-P-C4' energy: -34.425
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -241.743884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.743884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.743884 (E_RNA)
where:
Base-Base interactions energy: -127.956
where: short stacking energy: -78.027
Base-Backbone interact. energy: 1.670
local terms energy: -115.457734
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -38.708
flat angles C4'-P-C4' energy: -27.531
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -217.456932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.456932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.456932 (E_RNA)
where:
Base-Base interactions energy: -108.083
where: short stacking energy: -55.524
Base-Backbone interact. energy: -1.629
local terms energy: -107.745063
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -26.526
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -4.729
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: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -597.003932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.003932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.003932 (E_RNA)
where:
Base-Base interactions energy: -419.401
where: short stacking energy: -163.705
Base-Backbone interact. energy: -1.878
local terms energy: -175.931270
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -38.287
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -50.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.206 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -576.485157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.485157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.485157 (E_RNA)
where:
Base-Base interactions energy: -390.214
where: short stacking energy: -154.782
Base-Backbone interact. energy: -2.240
local terms energy: -184.031922
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -28.517
flat angles P-C4'-P energy: -32.302
tors. eta vs tors. theta energy: -54.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -536.907197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.907197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.907197 (E_RNA)
where:
Base-Base interactions energy: -365.052
where: short stacking energy: -143.797
Base-Backbone interact. energy: -1.294
local terms energy: -170.561409
where:
bonds (distance) C4'-P energy: -36.644
bonds (distance) P-C4' energy: -29.090
flat angles C4'-P-C4' energy: -40.570
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -44.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -434.276317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.276317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.276317 (E_RNA)
where:
Base-Base interactions energy: -287.513
where: short stacking energy: -114.100
Base-Backbone interact. energy: -0.912
local terms energy: -145.852129
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -34.170
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -424.962102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.962102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.962102 (E_RNA)
where:
Base-Base interactions energy: -280.383
where: short stacking energy: -121.092
Base-Backbone interact. energy: -0.281
local terms energy: -144.297839
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -32.622
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -29.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -366.038562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.038562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.038562 (E_RNA)
where:
Base-Base interactions energy: -241.136
where: short stacking energy: -96.730
Base-Backbone interact. energy: -0.465
local terms energy: -124.437466
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -30.557
flat angles C4'-P-C4' energy: -29.751
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -18.557
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: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -322.027883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.027883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.027883 (E_RNA)
where:
Base-Base interactions energy: -187.858
where: short stacking energy: -100.994
Base-Backbone interact. energy: 1.705
local terms energy: -135.874447
where:
bonds (distance) C4'-P energy: -34.143
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -16.347
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: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -328.130661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.130661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.130661 (E_RNA)
where:
Base-Base interactions energy: -199.544
where: short stacking energy: -79.596
Base-Backbone interact. energy: -0.834
local terms energy: -127.753354
where:
bonds (distance) C4'-P energy: -38.726
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -233.729004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.729004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.729004 (E_RNA)
where:
Base-Base interactions energy: -122.312
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.822
local terms energy: -110.594915
where:
bonds (distance) C4'-P energy: -31.868
bonds (distance) P-C4' energy: -27.232
flat angles C4'-P-C4' energy: -30.538
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -0.288
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: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -204.764011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.764011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.764011 (E_RNA)
where:
Base-Base interactions energy: -86.627
where: short stacking energy: -59.073
Base-Backbone interact. energy: 0.314
local terms energy: -118.450898
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -29.579
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -12.402
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: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -605.924807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.924807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.924807 (E_RNA)
where:
Base-Base interactions energy: -418.013
where: short stacking energy: -161.328
Base-Backbone interact. energy: -0.942
local terms energy: -186.970249
where:
bonds (distance) C4'-P energy: -34.656
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -38.318
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -46.577
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: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -553.854629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.854629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.854629 (E_RNA)
where:
Base-Base interactions energy: -381.880
where: short stacking energy: -153.259
Base-Backbone interact. energy: -1.114
local terms energy: -170.860070
where:
bonds (distance) C4'-P energy: -36.047
bonds (distance) P-C4' energy: -34.530
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -47.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -514.718519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.718519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.718519 (E_RNA)
where:
Base-Base interactions energy: -343.816
where: short stacking energy: -139.779
Base-Backbone interact. energy: 2.452
local terms energy: -173.354598
where:
bonds (distance) C4'-P energy: -30.943
bonds (distance) P-C4' energy: -38.389
flat angles C4'-P-C4' energy: -39.067
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -44.984
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: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -442.497801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.497801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.497801 (E_RNA)
where:
Base-Base interactions energy: -290.580
where: short stacking energy: -139.000
Base-Backbone interact. energy: -0.177
local terms energy: -151.741381
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -38.171
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -32.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -426.402598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.402598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.402598 (E_RNA)
where:
Base-Base interactions energy: -267.583
where: short stacking energy: -121.528
Base-Backbone interact. energy: -1.851
local terms energy: -156.969133
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -31.825
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: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -345.836549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.836549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.836549 (E_RNA)
where:
Base-Base interactions energy: -209.062
where: short stacking energy: -79.851
Base-Backbone interact. energy: -0.177
local terms energy: -136.597337
where:
bonds (distance) C4'-P energy: -36.348
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -27.843
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -293.881972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.881972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.881972 (E_RNA)
where:
Base-Base interactions energy: -153.419
where: short stacking energy: -83.397
Base-Backbone interact. energy: 0.102
local terms energy: -141.185862
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -34.090
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.621 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -291.428530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.428530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.428530 (E_RNA)
where:
Base-Base interactions energy: -165.965
where: short stacking energy: -79.860
Base-Backbone interact. energy: 0.625
local terms energy: -126.088348
where:
bonds (distance) C4'-P energy: -35.555
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -36.048
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -10.065
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: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -225.087255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.087255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.087255 (E_RNA)
where:
Base-Base interactions energy: -113.201
where: short stacking energy: -56.739
Base-Backbone interact. energy: 0.852
local terms energy: -113.061599
where:
bonds (distance) C4'-P energy: -28.410
bonds (distance) P-C4' energy: -37.175
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.324 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -174.699301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.699301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.699301 (E_RNA)
where:
Base-Base interactions energy: -83.111
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.613
local terms energy: -90.974420
where:
bonds (distance) C4'-P energy: -30.154
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: 5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -604.254477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.254477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.254477 (E_RNA)
where:
Base-Base interactions energy: -418.093
where: short stacking energy: -161.667
Base-Backbone interact. energy: -1.199
local terms energy: -184.962761
where:
bonds (distance) C4'-P energy: -32.161
bonds (distance) P-C4' energy: -40.468
flat angles C4'-P-C4' energy: -38.534
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -46.566
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: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -570.539315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.539315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.539315 (E_RNA)
where:
Base-Base interactions energy: -396.993
where: short stacking energy: -155.752
Base-Backbone interact. energy: 0.430
local terms energy: -173.976530
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -39.835
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -43.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -532.212038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.212038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.212038 (E_RNA)
where:
Base-Base interactions energy: -363.644
where: short stacking energy: -150.086
Base-Backbone interact. energy: -0.967
local terms energy: -167.600884
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -38.888
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: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -431.863667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.863667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.863667 (E_RNA)
where:
Base-Base interactions energy: -273.262
where: short stacking energy: -120.925
Base-Backbone interact. energy: -1.312
local terms energy: -157.289843
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -41.065
flat angles C4'-P-C4' energy: -33.335
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -32.695
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: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -420.250978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.250978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.250978 (E_RNA)
where:
Base-Base interactions energy: -271.633
where: short stacking energy: -129.870
Base-Backbone interact. energy: -0.581
local terms energy: -148.037173
where:
bonds (distance) C4'-P energy: -32.414
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -27.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -327.699360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.699360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.699360 (E_RNA)
where:
Base-Base interactions energy: -181.929
where: short stacking energy: -90.822
Base-Backbone interact. energy: -1.742
local terms energy: -144.028185
where:
bonds (distance) C4'-P energy: -35.535
bonds (distance) P-C4' energy: -34.377
flat angles C4'-P-C4' energy: -34.686
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -319.348293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.348293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.348293 (E_RNA)
where:
Base-Base interactions energy: -193.430
where: short stacking energy: -73.543
Base-Backbone interact. energy: -1.349
local terms energy: -124.569355
where:
bonds (distance) C4'-P energy: -29.043
bonds (distance) P-C4' energy: -34.329
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -26.339
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -308.873094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.873094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.873094 (E_RNA)
where:
Base-Base interactions energy: -182.053
where: short stacking energy: -99.910
Base-Backbone interact. energy: 0.601
local terms energy: -127.421870
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -31.977
flat angles C4'-P-C4' energy: -25.466
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -222.599326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.599326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.599326 (E_RNA)
where:
Base-Base interactions energy: -115.376
where: short stacking energy: -54.279
Base-Backbone interact. energy: 2.203
local terms energy: -109.425888
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -39.108
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -171.412098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.412098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.412098 (E_RNA)
where:
Base-Base interactions energy: -75.975
where: short stacking energy: -48.075
Base-Backbone interact. energy: -0.880
local terms energy: -94.556142
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: 8.050
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: 227
Temperature: 0.900000
Total energy: -577.156388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.156388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.156388 (E_RNA)
where:
Base-Base interactions energy: -395.888
where: short stacking energy: -151.825
Base-Backbone interact. energy: -1.882
local terms energy: -179.386270
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -34.435
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -27.723
tors. eta vs tors. theta energy: -43.878
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: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -578.744364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.744364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.744364 (E_RNA)
where:
Base-Base interactions energy: -388.540
where: short stacking energy: -159.815
Base-Backbone interact. energy: -1.884
local terms energy: -188.320067
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -43.876
flat angles P-C4'-P energy: -24.762
tors. eta vs tors. theta energy: -49.659
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: 227
Temperature: 1.000000
Total energy: -552.708211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.708211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.708211 (E_RNA)
where:
Base-Base interactions energy: -373.469
where: short stacking energy: -152.693
Base-Backbone interact. energy: -1.188
local terms energy: -178.307855
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -44.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -436.207750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.207750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.207750 (E_RNA)
where:
Base-Base interactions energy: -275.714
where: short stacking energy: -122.735
Base-Backbone interact. energy: -0.459
local terms energy: -161.704721
where:
bonds (distance) C4'-P energy: -31.248
bonds (distance) P-C4' energy: -40.939
flat angles C4'-P-C4' energy: -37.384
flat angles P-C4'-P energy: -25.111
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.670 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -435.411461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.411461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.411461 (E_RNA)
where:
Base-Base interactions energy: -287.001
where: short stacking energy: -117.552
Base-Backbone interact. energy: 0.534
local terms energy: -148.944121
where:
bonds (distance) C4'-P energy: -32.168
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -36.765
flat angles P-C4'-P energy: -23.414
tors. eta vs tors. theta energy: -20.712
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -361.025844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.025844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.025844 (E_RNA)
where:
Base-Base interactions energy: -211.684
where: short stacking energy: -88.968
Base-Backbone interact. energy: 0.854
local terms energy: -150.195686
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -33.403
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -329.043075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.043075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.043075 (E_RNA)
where:
Base-Base interactions energy: -194.112
where: short stacking energy: -86.905
Base-Backbone interact. energy: -0.201
local terms energy: -134.729672
where:
bonds (distance) C4'-P energy: -32.218
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -14.376
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: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -316.479025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.479025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.479025 (E_RNA)
where:
Base-Base interactions energy: -181.494
where: short stacking energy: -86.824
Base-Backbone interact. energy: 1.875
local terms energy: -136.859916
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -29.501
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -271.369994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.369994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.369994 (E_RNA)
where:
Base-Base interactions energy: -135.487
where: short stacking energy: -84.046
Base-Backbone interact. energy: -2.469
local terms energy: -133.414346
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -19.634
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: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -164.974798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.974798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.974798 (E_RNA)
where:
Base-Base interactions energy: -58.520
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.521
local terms energy: -105.933867
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -40.227
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: 8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -585.680391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.680391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.680391 (E_RNA)
where:
Base-Base interactions energy: -404.214
where: short stacking energy: -166.562
Base-Backbone interact. energy: -1.543
local terms energy: -179.923350
where:
bonds (distance) C4'-P energy: -39.280
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -38.678
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -43.248
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -562.738644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.738644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.738644 (E_RNA)
where:
Base-Base interactions energy: -385.740
where: short stacking energy: -148.571
Base-Backbone interact. energy: -1.443
local terms energy: -175.555431
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -39.298
flat angles C4'-P-C4' energy: -39.708
flat angles P-C4'-P energy: -22.829
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: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -543.392750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.392750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.392750 (E_RNA)
where:
Base-Base interactions energy: -371.830
where: short stacking energy: -137.587
Base-Backbone interact. energy: -0.589
local terms energy: -170.973938
where:
bonds (distance) C4'-P energy: -37.518
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -25.896
tors. eta vs tors. theta energy: -37.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -436.921934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.921934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.921934 (E_RNA)
where:
Base-Base interactions energy: -280.368
where: short stacking energy: -113.879
Base-Backbone interact. energy: -1.356
local terms energy: -155.197925
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -33.661
flat angles C4'-P-C4' energy: -38.649
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -427.062569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.062569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.062569 (E_RNA)
where:
Base-Base interactions energy: -290.846
where: short stacking energy: -111.991
Base-Backbone interact. energy: -1.977
local terms energy: -134.239489
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -376.574996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.574996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.574996 (E_RNA)
where:
Base-Base interactions energy: -215.732
where: short stacking energy: -111.470
Base-Backbone interact. energy: -1.859
local terms energy: -158.984027
where:
bonds (distance) C4'-P energy: -35.190
bonds (distance) P-C4' energy: -35.934
flat angles C4'-P-C4' energy: -41.030
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -28.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -331.228423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.228423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.228423 (E_RNA)
where:
Base-Base interactions energy: -209.878
where: short stacking energy: -92.859
Base-Backbone interact. energy: 3.016
local terms energy: -124.366927
where:
bonds (distance) C4'-P energy: -32.555
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -17.471
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: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -255.075253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.075253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.075253 (E_RNA)
where:
Base-Base interactions energy: -124.757
where: short stacking energy: -74.598
Base-Backbone interact. energy: 0.079
local terms energy: -131.945464
where:
bonds (distance) C4'-P energy: -29.603
bonds (distance) P-C4' energy: -36.950
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.548 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -222.348846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.348846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.348846 (E_RNA)
where:
Base-Base interactions energy: -110.395
where: short stacking energy: -73.591
Base-Backbone interact. energy: -0.984
local terms energy: -110.969453
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -27.612
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -152.927316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.927316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.927316 (E_RNA)
where:
Base-Base interactions energy: -49.014
where: short stacking energy: -39.825
Base-Backbone interact. energy: 0.522
local terms energy: -104.435857
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -7.716
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: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -590.152345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.152345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.152345 (E_RNA)
where:
Base-Base interactions energy: -413.690
where: short stacking energy: -153.282
Base-Backbone interact. energy: 0.695
local terms energy: -177.157782
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -40.938
flat angles C4'-P-C4' energy: -39.691
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: -39.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -561.690343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.690343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.690343 (E_RNA)
where:
Base-Base interactions energy: -391.314
where: short stacking energy: -153.071
Base-Backbone interact. energy: -0.781
local terms energy: -169.595267
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -37.890
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -533.887391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.887391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.887391 (E_RNA)
where:
Base-Base interactions energy: -366.509
where: short stacking energy: -151.992
Base-Backbone interact. energy: -0.300
local terms energy: -167.079143
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -41.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -457.684297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.684297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.684297 (E_RNA)
where:
Base-Base interactions energy: -294.830
where: short stacking energy: -125.524
Base-Backbone interact. energy: 1.055
local terms energy: -163.909740
where:
bonds (distance) C4'-P energy: -34.159
bonds (distance) P-C4' energy: -34.194
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -30.052
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: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -445.249641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.249641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.249641 (E_RNA)
where:
Base-Base interactions energy: -290.786
where: short stacking energy: -120.201
Base-Backbone interact. energy: -0.788
local terms energy: -153.675920
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -35.632
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: -30.363
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: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -367.103438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.103438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.103438 (E_RNA)
where:
Base-Base interactions energy: -229.418
where: short stacking energy: -112.305
Base-Backbone interact. energy: -1.038
local terms energy: -137.594941
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -30.624
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -29.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.948 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -314.569856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.569856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.569856 (E_RNA)
where:
Base-Base interactions energy: -194.110
where: short stacking energy: -83.964
Base-Backbone interact. energy: -0.410
local terms energy: -120.050494
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -30.620
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -10.978
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: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -244.037392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.037392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.037392 (E_RNA)
where:
Base-Base interactions energy: -130.988
where: short stacking energy: -60.920
Base-Backbone interact. energy: 0.096
local terms energy: -113.144821
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -236.841626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.841626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.841626 (E_RNA)
where:
Base-Base interactions energy: -129.339
where: short stacking energy: -60.861
Base-Backbone interact. energy: 0.519
local terms energy: -108.021618
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -152.246895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.246895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.246895 (E_RNA)
where:
Base-Base interactions energy: -69.037
where: short stacking energy: -40.948
Base-Backbone interact. energy: 2.046
local terms energy: -85.256590
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -34.329
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.981
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: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -568.026965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.026965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.026965 (E_RNA)
where:
Base-Base interactions energy: -393.144
where: short stacking energy: -165.247
Base-Backbone interact. energy: -0.012
local terms energy: -174.871639
where:
bonds (distance) C4'-P energy: -35.712
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -39.941
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -43.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -574.588539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.588539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.588539 (E_RNA)
where:
Base-Base interactions energy: -391.961
where: short stacking energy: -161.560
Base-Backbone interact. energy: -1.505
local terms energy: -182.156678
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -41.636
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.034 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -540.766286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.766286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.766286 (E_RNA)
where:
Base-Base interactions energy: -370.273
where: short stacking energy: -147.841
Base-Backbone interact. energy: -1.278
local terms energy: -169.216141
where:
bonds (distance) C4'-P energy: -34.421
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -40.627
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -41.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -430.497411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.497411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.497411 (E_RNA)
where:
Base-Base interactions energy: -284.944
where: short stacking energy: -128.276
Base-Backbone interact. energy: -0.196
local terms energy: -145.357104
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -29.967
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -23.993
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: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -441.821014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.821014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.821014 (E_RNA)
where:
Base-Base interactions energy: -278.168
where: short stacking energy: -120.523
Base-Backbone interact. energy: -0.792
local terms energy: -162.860571
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -39.729
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -34.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -360.660300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.660300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.660300 (E_RNA)
where:
Base-Base interactions energy: -230.568
where: short stacking energy: -109.288
Base-Backbone interact. energy: -1.238
local terms energy: -128.853699
where:
bonds (distance) C4'-P energy: -32.880
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -317.716830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.716830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.716830 (E_RNA)
where:
Base-Base interactions energy: -196.040
where: short stacking energy: -85.573
Base-Backbone interact. energy: -0.946
local terms energy: -120.730543
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -17.929
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: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -285.363532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.363532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.363532 (E_RNA)
where:
Base-Base interactions energy: -158.447
where: short stacking energy: -89.601
Base-Backbone interact. energy: 1.963
local terms energy: -128.880164
where:
bonds (distance) C4'-P energy: -28.519
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -23.267
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: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -235.104025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.104025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.104025 (E_RNA)
where:
Base-Base interactions energy: -122.419
where: short stacking energy: -62.327
Base-Backbone interact. energy: 0.331
local terms energy: -113.016196
where:
bonds (distance) C4'-P energy: -31.467
bonds (distance) P-C4' energy: -33.641
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -3.766
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: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -163.137593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.137593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.137593 (E_RNA)
where:
Base-Base interactions energy: -40.148
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.194
local terms energy: -122.795560
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -41.227
flat angles C4'-P-C4' energy: -27.466
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -574.929816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.929816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.929816 (E_RNA)
where:
Base-Base interactions energy: -386.048
where: short stacking energy: -160.615
Base-Backbone interact. energy: -2.759
local terms energy: -186.122362
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -40.680
flat angles C4'-P-C4' energy: -40.199
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -47.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -584.439743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.439743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.439743 (E_RNA)
where:
Base-Base interactions energy: -402.491
where: short stacking energy: -161.412
Base-Backbone interact. energy: -0.971
local terms energy: -180.977616
where:
bonds (distance) C4'-P energy: -35.560
bonds (distance) P-C4' energy: -32.659
flat angles C4'-P-C4' energy: -40.967
flat angles P-C4'-P energy: -27.662
tors. eta vs tors. theta energy: -44.129
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: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -561.220953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.220953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.220953 (E_RNA)
where:
Base-Base interactions energy: -395.667
where: short stacking energy: -146.498
Base-Backbone interact. energy: -1.692
local terms energy: -163.861562
where:
bonds (distance) C4'-P energy: -40.126
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -39.651
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: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -481.950952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.950952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.950952 (E_RNA)
where:
Base-Base interactions energy: -319.368
where: short stacking energy: -138.595
Base-Backbone interact. energy: -0.581
local terms energy: -162.001882
where:
bonds (distance) C4'-P energy: -37.985
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -39.984
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -476.761316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.761316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.761316 (E_RNA)
where:
Base-Base interactions energy: -316.165
where: short stacking energy: -123.237
Base-Backbone interact. energy: -1.183
local terms energy: -159.412992
where:
bonds (distance) C4'-P energy: -34.591
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -34.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -347.409314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.409314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.409314 (E_RNA)
where:
Base-Base interactions energy: -206.080
where: short stacking energy: -97.784
Base-Backbone interact. energy: -2.302
local terms energy: -139.027283
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -34.112
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -24.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -313.252047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.252047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.252047 (E_RNA)
where:
Base-Base interactions energy: -191.735
where: short stacking energy: -83.485
Base-Backbone interact. energy: -0.372
local terms energy: -121.753949
where:
bonds (distance) C4'-P energy: -32.203
bonds (distance) P-C4' energy: -36.921
flat angles C4'-P-C4' energy: -36.843
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.609 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -256.785059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.785059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.785059 (E_RNA)
where:
Base-Base interactions energy: -143.845
where: short stacking energy: -72.573
Base-Backbone interact. energy: -1.404
local terms energy: -111.977556
where:
bonds (distance) C4'-P energy: -30.343
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -30.181
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.442 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -248.356176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.356176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.356176 (E_RNA)
where:
Base-Base interactions energy: -132.153
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.561
local terms energy: -115.642743
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -145.053042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.053042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.053042 (E_RNA)
where:
Base-Base interactions energy: -57.084
where: short stacking energy: -39.542
Base-Backbone interact. energy: 4.096
local terms energy: -92.857233
where:
bonds (distance) C4'-P energy: -34.797
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: 2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.793 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -599.116846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.116846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.116846 (E_RNA)
where:
Base-Base interactions energy: -415.623
where: short stacking energy: -164.307
Base-Backbone interact. energy: -1.819
local terms energy: -181.674531
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -39.223
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -28.062
tors. eta vs tors. theta energy: -46.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -558.621605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.621605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.621605 (E_RNA)
where:
Base-Base interactions energy: -379.412
where: short stacking energy: -158.944
Base-Backbone interact. energy: -2.588
local terms energy: -176.621663
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -30.180
flat angles C4'-P-C4' energy: -39.127
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: -45.944
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: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -555.517548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.517548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.517548 (E_RNA)
where:
Base-Base interactions energy: -382.306
where: short stacking energy: -148.131
Base-Backbone interact. energy: -2.148
local terms energy: -171.063355
where:
bonds (distance) C4'-P energy: -36.453
bonds (distance) P-C4' energy: -38.578
flat angles C4'-P-C4' energy: -33.504
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -39.152
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: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -455.283674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.283674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.283674 (E_RNA)
where:
Base-Base interactions energy: -292.661
where: short stacking energy: -134.484
Base-Backbone interact. energy: -0.853
local terms energy: -161.769120
where:
bonds (distance) C4'-P energy: -33.470
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -33.090
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: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -450.097047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.097047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.097047 (E_RNA)
where:
Base-Base interactions energy: -301.307
where: short stacking energy: -114.811
Base-Backbone interact. energy: -0.936
local terms energy: -147.854398
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -35.020
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -26.813
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: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -367.736634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.736634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.736634 (E_RNA)
where:
Base-Base interactions energy: -238.044
where: short stacking energy: -82.080
Base-Backbone interact. energy: -0.934
local terms energy: -128.757873
where:
bonds (distance) C4'-P energy: -38.205
bonds (distance) P-C4' energy: -34.168
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -287.711245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.711245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.711245 (E_RNA)
where:
Base-Base interactions energy: -156.822
where: short stacking energy: -79.431
Base-Backbone interact. energy: -0.345
local terms energy: -131.170906
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -42.979
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.627 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -291.259434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.259434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.259434 (E_RNA)
where:
Base-Base interactions energy: -170.832
where: short stacking energy: -72.316
Base-Backbone interact. energy: -1.468
local terms energy: -118.959536
where:
bonds (distance) C4'-P energy: -31.854
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -7.096
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: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -239.295978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.295978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.295978 (E_RNA)
where:
Base-Base interactions energy: -140.427
where: short stacking energy: -48.964
Base-Backbone interact. energy: -1.185
local terms energy: -97.800772
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.116 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -172.657896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.657896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.657896 (E_RNA)
where:
Base-Base interactions energy: -50.702
where: short stacking energy: -44.960
Base-Backbone interact. energy: -1.699
local terms energy: -120.257269
where:
bonds (distance) C4'-P energy: -26.522
bonds (distance) P-C4' energy: -42.242
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: 2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -583.538933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.538933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.538933 (E_RNA)
where:
Base-Base interactions energy: -405.635
where: short stacking energy: -163.514
Base-Backbone interact. energy: -0.514
local terms energy: -178.411728
where:
bonds (distance) C4'-P energy: -30.204
bonds (distance) P-C4' energy: -38.465
flat angles C4'-P-C4' energy: -43.449
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -44.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.022 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -562.767482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.767482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.767482 (E_RNA)
where:
Base-Base interactions energy: -396.127
where: short stacking energy: -161.699
Base-Backbone interact. energy: 0.718
local terms energy: -167.358224
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -37.591
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -38.738
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: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -545.076951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.076951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.076951 (E_RNA)
where:
Base-Base interactions energy: -365.157
where: short stacking energy: -145.294
Base-Backbone interact. energy: -0.769
local terms energy: -179.150599
where:
bonds (distance) C4'-P energy: -32.553
bonds (distance) P-C4' energy: -37.423
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -31.085
tors. eta vs tors. theta energy: -39.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -453.387204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.387204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.387204 (E_RNA)
where:
Base-Base interactions energy: -304.371
where: short stacking energy: -125.513
Base-Backbone interact. energy: -0.169
local terms energy: -148.846601
where:
bonds (distance) C4'-P energy: -29.290
bonds (distance) P-C4' energy: -41.743
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -419.726716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.726716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.726716 (E_RNA)
where:
Base-Base interactions energy: -272.980
where: short stacking energy: -116.800
Base-Backbone interact. energy: 1.573
local terms energy: -148.319778
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -36.277
flat angles C4'-P-C4' energy: -38.863
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -30.055
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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -355.978504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.978504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.978504 (E_RNA)
where:
Base-Base interactions energy: -231.816
where: short stacking energy: -103.078
Base-Backbone interact. energy: -1.862
local terms energy: -122.299964
where:
bonds (distance) C4'-P energy: -38.091
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -15.002
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: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -281.015911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.015911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.015911 (E_RNA)
where:
Base-Base interactions energy: -151.792
where: short stacking energy: -92.469
Base-Backbone interact. energy: -1.045
local terms energy: -128.178335
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -41.791
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -303.646292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.646292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.646292 (E_RNA)
where:
Base-Base interactions energy: -182.787
where: short stacking energy: -81.230
Base-Backbone interact. energy: -1.081
local terms energy: -119.874308
where:
bonds (distance) C4'-P energy: -38.623
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.097 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -263.391703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.391703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.391703 (E_RNA)
where:
Base-Base interactions energy: -147.542
where: short stacking energy: -61.831
Base-Backbone interact. energy: 0.197
local terms energy: -116.045797
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -40.811
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -161.003454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.003454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.003454 (E_RNA)
where:
Base-Base interactions energy: -53.515
where: short stacking energy: -45.157
Base-Backbone interact. energy: -0.590
local terms energy: -106.898911
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: 0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -592.459506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.459506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.459506 (E_RNA)
where:
Base-Base interactions energy: -412.612
where: short stacking energy: -141.542
Base-Backbone interact. energy: -1.655
local terms energy: -178.593960
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -39.676
flat angles C4'-P-C4' energy: -37.389
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -42.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.401 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -566.485036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.485036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.485036 (E_RNA)
where:
Base-Base interactions energy: -392.776
where: short stacking energy: -155.488
Base-Backbone interact. energy: -0.449
local terms energy: -173.260300
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -37.127
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -45.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -571.967795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.967795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.967795 (E_RNA)
where:
Base-Base interactions energy: -387.928
where: short stacking energy: -157.428
Base-Backbone interact. energy: 0.121
local terms energy: -184.160532
where:
bonds (distance) C4'-P energy: -37.611
bonds (distance) P-C4' energy: -36.798
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -50.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -454.385353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.385353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.385353 (E_RNA)
where:
Base-Base interactions energy: -304.080
where: short stacking energy: -135.105
Base-Backbone interact. energy: -0.187
local terms energy: -152.208549
where:
bonds (distance) C4'-P energy: -33.296
bonds (distance) P-C4' energy: -43.140
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -30.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.090 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -406.450526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.450526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.450526 (E_RNA)
where:
Base-Base interactions energy: -257.344
where: short stacking energy: -119.412
Base-Backbone interact. energy: -0.486
local terms energy: -148.619667
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -27.994
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -24.032
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: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -348.944865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.944865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.944865 (E_RNA)
where:
Base-Base interactions energy: -223.990
where: short stacking energy: -97.755
Base-Backbone interact. energy: -0.096
local terms energy: -124.858441
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -33.046
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -310.165947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.165947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.165947 (E_RNA)
where:
Base-Base interactions energy: -177.779
where: short stacking energy: -74.530
Base-Backbone interact. energy: -0.496
local terms energy: -131.972306
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -32.614
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.082 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -284.157523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.157523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.157523 (E_RNA)
where:
Base-Base interactions energy: -156.351
where: short stacking energy: -62.662
Base-Backbone interact. energy: -0.749
local terms energy: -127.057323
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -30.948
flat angles P-C4'-P energy: -22.780
tors. eta vs tors. theta energy: -10.229
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: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -218.421522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.421522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.421522 (E_RNA)
where:
Base-Base interactions energy: -110.283
where: short stacking energy: -75.258
Base-Backbone interact. energy: 0.446
local terms energy: -108.584609
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -8.216
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: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -221.089449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.089449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.089449 (E_RNA)
where:
Base-Base interactions energy: -125.612
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.544
local terms energy: -96.485386
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.552 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -614.233649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.233649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.233649 (E_RNA)
where:
Base-Base interactions energy: -433.171
where: short stacking energy: -155.915
Base-Backbone interact. energy: -1.422
local terms energy: -179.641029
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -32.659
flat angles C4'-P-C4' energy: -38.311
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -45.434
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: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -584.786477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.786477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.786477 (E_RNA)
where:
Base-Base interactions energy: -406.745
where: short stacking energy: -153.488
Base-Backbone interact. energy: -0.624
local terms energy: -177.417016
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -35.902
flat angles C4'-P-C4' energy: -38.424
flat angles P-C4'-P energy: -29.222
tors. eta vs tors. theta energy: -42.185
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: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -546.595892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.595892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.595892 (E_RNA)
where:
Base-Base interactions energy: -376.201
where: short stacking energy: -152.239
Base-Backbone interact. energy: 0.158
local terms energy: -170.553091
where:
bonds (distance) C4'-P energy: -30.238
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -38.931
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -42.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -460.188913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.188913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.188913 (E_RNA)
where:
Base-Base interactions energy: -304.334
where: short stacking energy: -128.481
Base-Backbone interact. energy: -0.066
local terms energy: -155.789240
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -38.707
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -38.158
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: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -418.344865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.344865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.344865 (E_RNA)
where:
Base-Base interactions energy: -268.745
where: short stacking energy: -125.157
Base-Backbone interact. energy: -0.187
local terms energy: -149.412235
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -36.212
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -25.810
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -350.743367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.743367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.743367 (E_RNA)
where:
Base-Base interactions energy: -215.038
where: short stacking energy: -103.189
Base-Backbone interact. energy: 0.960
local terms energy: -136.665279
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -35.944
flat angles C4'-P-C4' energy: -37.049
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -18.538
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: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -344.189309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.189309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.189309 (E_RNA)
where:
Base-Base interactions energy: -218.444
where: short stacking energy: -103.366
Base-Backbone interact. energy: 3.542
local terms energy: -129.287092
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -295.685362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.685362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.685362 (E_RNA)
where:
Base-Base interactions energy: -183.894
where: short stacking energy: -74.727
Base-Backbone interact. energy: -0.334
local terms energy: -111.457511
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -32.303
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -203.890246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.890246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.890246 (E_RNA)
where:
Base-Base interactions energy: -86.893
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.865
local terms energy: -116.131828
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -36.932
flat angles C4'-P-C4' energy: -26.623
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -7.297
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: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -232.060695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.060695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.060695 (E_RNA)
where:
Base-Base interactions energy: -131.528
where: short stacking energy: -58.096
Base-Backbone interact. energy: -1.759
local terms energy: -98.773786
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -40.699
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: 3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -600.624945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.624945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.624945 (E_RNA)
where:
Base-Base interactions energy: -409.159
where: short stacking energy: -171.352
Base-Backbone interact. energy: -1.465
local terms energy: -190.000818
where:
bonds (distance) C4'-P energy: -37.121
bonds (distance) P-C4' energy: -43.158
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -47.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -585.745036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.745036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.745036 (E_RNA)
where:
Base-Base interactions energy: -413.209
where: short stacking energy: -163.073
Base-Backbone interact. energy: -1.185
local terms energy: -171.350824
where:
bonds (distance) C4'-P energy: -30.787
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -45.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -558.416114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.416114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.416114 (E_RNA)
where:
Base-Base interactions energy: -396.842
where: short stacking energy: -164.356
Base-Backbone interact. energy: -1.871
local terms energy: -159.703442
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -37.315
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -36.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -458.740361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.740361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.740361 (E_RNA)
where:
Base-Base interactions energy: -308.147
where: short stacking energy: -140.236
Base-Backbone interact. energy: 0.051
local terms energy: -150.644959
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -33.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -428.000781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.000781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.000781 (E_RNA)
where:
Base-Base interactions energy: -280.867
where: short stacking energy: -124.029
Base-Backbone interact. energy: -1.524
local terms energy: -145.609503
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -38.333
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -29.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -339.424893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.424893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.424893 (E_RNA)
where:
Base-Base interactions energy: -191.766
where: short stacking energy: -83.093
Base-Backbone interact. energy: -0.941
local terms energy: -146.717992
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -35.376
flat angles C4'-P-C4' energy: -30.586
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -329.932553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.932553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.932553 (E_RNA)
where:
Base-Base interactions energy: -188.998
where: short stacking energy: -90.982
Base-Backbone interact. energy: -1.097
local terms energy: -140.091583
where:
bonds (distance) C4'-P energy: -35.314
bonds (distance) P-C4' energy: -38.449
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.255 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -319.484413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.484413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.484413 (E_RNA)
where:
Base-Base interactions energy: -185.869
where: short stacking energy: -108.507
Base-Backbone interact. energy: -0.335
local terms energy: -133.280317
where:
bonds (distance) C4'-P energy: -37.555
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -19.807
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: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -189.012009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.012009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.012009 (E_RNA)
where:
Base-Base interactions energy: -79.466
where: short stacking energy: -38.084
Base-Backbone interact. energy: -0.518
local terms energy: -109.027760
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: 8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -172.190510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.190510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.190510 (E_RNA)
where:
Base-Base interactions energy: -70.899
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.592
local terms energy: -100.699378
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -31.139
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: 9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -589.952185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.952185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.952185 (E_RNA)
where:
Base-Base interactions energy: -401.885
where: short stacking energy: -160.016
Base-Backbone interact. energy: -0.800
local terms energy: -187.267671
where:
bonds (distance) C4'-P energy: -37.346
bonds (distance) P-C4' energy: -40.424
flat angles C4'-P-C4' energy: -40.573
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -46.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -562.556264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.556264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.556264 (E_RNA)
where:
Base-Base interactions energy: -395.626
where: short stacking energy: -161.195
Base-Backbone interact. energy: -0.557
local terms energy: -166.373415
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -37.082
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -40.556
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: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -594.303657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.303657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.303657 (E_RNA)
where:
Base-Base interactions energy: -405.838
where: short stacking energy: -171.316
Base-Backbone interact. energy: -0.671
local terms energy: -187.793870
where:
bonds (distance) C4'-P energy: -32.082
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -48.601
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: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -486.127197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.127197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.127197 (E_RNA)
where:
Base-Base interactions energy: -305.979
where: short stacking energy: -140.384
Base-Backbone interact. energy: -0.693
local terms energy: -179.455432
where:
bonds (distance) C4'-P energy: -38.187
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -28.543
tors. eta vs tors. theta energy: -39.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -402.704433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.704433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.704433 (E_RNA)
where:
Base-Base interactions energy: -254.962
where: short stacking energy: -107.311
Base-Backbone interact. energy: -0.174
local terms energy: -147.567810
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -29.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -350.703697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.703697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.703697 (E_RNA)
where:
Base-Base interactions energy: -203.686
where: short stacking energy: -97.472
Base-Backbone interact. energy: -1.618
local terms energy: -145.399282
where:
bonds (distance) C4'-P energy: -30.407
bonds (distance) P-C4' energy: -35.469
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -315.231208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.231208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.231208 (E_RNA)
where:
Base-Base interactions energy: -187.641
where: short stacking energy: -89.417
Base-Backbone interact. energy: 0.050
local terms energy: -127.640169
where:
bonds (distance) C4'-P energy: -32.830
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -25.950
tors. eta vs tors. theta energy: -13.232
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: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -300.607857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.607857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.607857 (E_RNA)
where:
Base-Base interactions energy: -170.864
where: short stacking energy: -85.560
Base-Backbone interact. energy: 1.881
local terms energy: -131.624720
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -157.908966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.908966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.908966 (E_RNA)
where:
Base-Base interactions energy: -55.679
where: short stacking energy: -45.277
Base-Backbone interact. energy: 0.564
local terms energy: -102.794611
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -156.127462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.127462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.127462 (E_RNA)
where:
Base-Base interactions energy: -58.391
where: short stacking energy: -45.509
Base-Backbone interact. energy: 1.711
local terms energy: -99.447500
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -31.850
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: 4.168
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: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -580.592449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.592449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.592449 (E_RNA)
where:
Base-Base interactions energy: -418.636
where: short stacking energy: -154.892
Base-Backbone interact. energy: -1.147
local terms energy: -160.809486
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -35.038
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -38.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -571.768812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.768812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.768812 (E_RNA)
where:
Base-Base interactions energy: -395.187
where: short stacking energy: -159.057
Base-Backbone interact. energy: -0.397
local terms energy: -176.185002
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -34.656
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -46.831
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: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -582.974649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.974649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.974649 (E_RNA)
where:
Base-Base interactions energy: -398.015
where: short stacking energy: -161.315
Base-Backbone interact. energy: -2.113
local terms energy: -182.846599
where:
bonds (distance) C4'-P energy: -32.645
bonds (distance) P-C4' energy: -37.480
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: -48.960
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: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -503.742593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.742593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.742593 (E_RNA)
where:
Base-Base interactions energy: -335.987
where: short stacking energy: -138.196
Base-Backbone interact. energy: -1.564
local terms energy: -166.190863
where:
bonds (distance) C4'-P energy: -40.249
bonds (distance) P-C4' energy: -30.226
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -34.325
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: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -389.989059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.989059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.989059 (E_RNA)
where:
Base-Base interactions energy: -248.367
where: short stacking energy: -98.532
Base-Backbone interact. energy: 2.193
local terms energy: -143.814345
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -347.782403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.782403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.782403 (E_RNA)
where:
Base-Base interactions energy: -212.035
where: short stacking energy: -97.050
Base-Backbone interact. energy: 0.108
local terms energy: -135.855654
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -352.468264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.468264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.468264 (E_RNA)
where:
Base-Base interactions energy: -225.907
where: short stacking energy: -80.395
Base-Backbone interact. energy: -1.167
local terms energy: -125.394088
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -30.899
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -14.924
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: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -259.495496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.495496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.495496 (E_RNA)
where:
Base-Base interactions energy: -146.257
where: short stacking energy: -65.337
Base-Backbone interact. energy: 0.051
local terms energy: -113.289639
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -183.918612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.918612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.918612 (E_RNA)
where:
Base-Base interactions energy: -52.277
where: short stacking energy: -44.688
Base-Backbone interact. energy: -0.538
local terms energy: -131.103568
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -35.122
flat angles P-C4'-P energy: -25.312
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: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -167.730038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.730038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.730038 (E_RNA)
where:
Base-Base interactions energy: -57.500
where: short stacking energy: -39.599
Base-Backbone interact. energy: -1.450
local terms energy: -108.780594
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -35.168
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -24.313
tors. eta vs tors. theta energy: -1.369
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: 239
Temperature: 0.900000
Total energy: -585.366560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.366560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.366560 (E_RNA)
where:
Base-Base interactions energy: -399.634
where: short stacking energy: -152.857
Base-Backbone interact. energy: -1.566
local terms energy: -184.167018
where:
bonds (distance) C4'-P energy: -33.453
bonds (distance) P-C4' energy: -39.037
flat angles C4'-P-C4' energy: -39.853
flat angles P-C4'-P energy: -31.324
tors. eta vs tors. theta energy: -40.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -582.278483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.278483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.278483 (E_RNA)
where:
Base-Base interactions energy: -413.962
where: short stacking energy: -163.467
Base-Backbone interact. energy: -0.936
local terms energy: -167.379831
where:
bonds (distance) C4'-P energy: -29.324
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -37.764
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -43.588
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: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -561.274460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.274460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.274460 (E_RNA)
where:
Base-Base interactions energy: -389.882
where: short stacking energy: -151.128
Base-Backbone interact. energy: 2.033
local terms energy: -173.425475
where:
bonds (distance) C4'-P energy: -37.849
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -40.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -485.785819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.785819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.785819 (E_RNA)
where:
Base-Base interactions energy: -337.375
where: short stacking energy: -127.755
Base-Backbone interact. energy: -0.750
local terms energy: -147.661356
where:
bonds (distance) C4'-P energy: -35.953
bonds (distance) P-C4' energy: -32.407
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -19.400
tors. eta vs tors. theta energy: -30.645
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: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -403.759677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.759677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.759677 (E_RNA)
where:
Base-Base interactions energy: -264.617
where: short stacking energy: -112.177
Base-Backbone interact. energy: -0.822
local terms energy: -138.320845
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -39.517
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -23.985
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: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -362.759150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.759150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.759150 (E_RNA)
where:
Base-Base interactions energy: -223.907
where: short stacking energy: -84.172
Base-Backbone interact. energy: -0.790
local terms energy: -138.062402
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -23.194
tors. eta vs tors. theta energy: -20.801
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: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -320.800736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.800736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.800736 (E_RNA)
where:
Base-Base interactions energy: -181.833
where: short stacking energy: -88.352
Base-Backbone interact. energy: -1.715
local terms energy: -137.252734
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -34.478
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -300.699771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.699771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.699771 (E_RNA)
where:
Base-Base interactions energy: -171.939
where: short stacking energy: -78.446
Base-Backbone interact. energy: -0.637
local terms energy: -128.123285
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -37.198
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -174.938750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.938750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.938750 (E_RNA)
where:
Base-Base interactions energy: -60.419
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.503
local terms energy: -114.123942
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.107 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -161.112038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.112038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.112038 (E_RNA)
where:
Base-Base interactions energy: -50.942
where: short stacking energy: -44.464
Base-Backbone interact. energy: -0.707
local terms energy: -109.462968
where:
bonds (distance) C4'-P energy: -30.706
bonds (distance) P-C4' energy: -38.266
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -4.373
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: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -584.218459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.218459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.218459 (E_RNA)
where:
Base-Base interactions energy: -414.025
where: short stacking energy: -160.674
Base-Backbone interact. energy: 2.189
local terms energy: -172.382417
where:
bonds (distance) C4'-P energy: -30.511
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -37.097
flat angles P-C4'-P energy: -31.348
tors. eta vs tors. theta energy: -39.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -577.602432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.602432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.602432 (E_RNA)
where:
Base-Base interactions energy: -395.395
where: short stacking energy: -164.371
Base-Backbone interact. energy: -1.333
local terms energy: -180.874668
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -43.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -544.148232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.148232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.148232 (E_RNA)
where:
Base-Base interactions energy: -379.426
where: short stacking energy: -151.549
Base-Backbone interact. energy: 0.115
local terms energy: -164.838049
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -36.816
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: -38.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -480.263413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.263413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.263413 (E_RNA)
where:
Base-Base interactions energy: -334.403
where: short stacking energy: -132.748
Base-Backbone interact. energy: -0.746
local terms energy: -145.115148
where:
bonds (distance) C4'-P energy: -27.049
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -31.731
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: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -406.458583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.458583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.458583 (E_RNA)
where:
Base-Base interactions energy: -252.329
where: short stacking energy: -113.339
Base-Backbone interact. energy: -0.545
local terms energy: -153.584566
where:
bonds (distance) C4'-P energy: -33.836
bonds (distance) P-C4' energy: -43.369
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -348.306541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.306541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.306541 (E_RNA)
where:
Base-Base interactions energy: -215.863
where: short stacking energy: -90.092
Base-Backbone interact. energy: -0.681
local terms energy: -131.762598
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -317.643926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.643926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.643926 (E_RNA)
where:
Base-Base interactions energy: -170.542
where: short stacking energy: -74.407
Base-Backbone interact. energy: -0.728
local terms energy: -148.524999
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -36.887
flat angles C4'-P-C4' energy: -38.966
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.152 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -298.051165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.051165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.051165 (E_RNA)
where:
Base-Base interactions energy: -170.415
where: short stacking energy: -81.067
Base-Backbone interact. energy: -1.224
local terms energy: -126.412111
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -30.935
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -166.436477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.436477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.436477 (E_RNA)
where:
Base-Base interactions energy: -60.107
where: short stacking energy: -49.495
Base-Backbone interact. energy: 0.840
local terms energy: -107.170133
where:
bonds (distance) C4'-P energy: -34.195
bonds (distance) P-C4' energy: -32.704
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -160.486491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.486491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.486491 (E_RNA)
where:
Base-Base interactions energy: -46.823
where: short stacking energy: -42.196
Base-Backbone interact. energy: -0.678
local terms energy: -112.986119
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -40.114
flat angles C4'-P-C4' energy: -32.774
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -1.325
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: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -592.734639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.734639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.734639 (E_RNA)
where:
Base-Base interactions energy: -417.522
where: short stacking energy: -168.728
Base-Backbone interact. energy: -1.546
local terms energy: -173.666994
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -39.257
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -44.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -579.027134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.027134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.027134 (E_RNA)
where:
Base-Base interactions energy: -404.557
where: short stacking energy: -164.759
Base-Backbone interact. energy: -0.780
local terms energy: -173.690198
where:
bonds (distance) C4'-P energy: -28.021
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -39.039
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -48.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -564.281960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.281960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.281960 (E_RNA)
where:
Base-Base interactions energy: -388.923
where: short stacking energy: -157.803
Base-Backbone interact. energy: -1.239
local terms energy: -174.119571
where:
bonds (distance) C4'-P energy: -31.051
bonds (distance) P-C4' energy: -40.172
flat angles C4'-P-C4' energy: -35.755
flat angles P-C4'-P energy: -26.762
tors. eta vs tors. theta energy: -40.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -481.309862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.309862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.309862 (E_RNA)
where:
Base-Base interactions energy: -312.537
where: short stacking energy: -134.537
Base-Backbone interact. energy: -1.832
local terms energy: -166.941470
where:
bonds (distance) C4'-P energy: -31.060
bonds (distance) P-C4' energy: -39.053
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -37.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -434.827825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.827825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.827825 (E_RNA)
where:
Base-Base interactions energy: -279.045
where: short stacking energy: -122.940
Base-Backbone interact. energy: -1.195
local terms energy: -154.587246
where:
bonds (distance) C4'-P energy: -35.648
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -27.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -367.818932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.818932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.818932 (E_RNA)
where:
Base-Base interactions energy: -228.466
where: short stacking energy: -91.793
Base-Backbone interact. energy: -0.790
local terms energy: -138.989885
where:
bonds (distance) C4'-P energy: -33.813
bonds (distance) P-C4' energy: -40.068
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.427 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -328.943951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.943951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.943951 (E_RNA)
where:
Base-Base interactions energy: -187.604
where: short stacking energy: -91.903
Base-Backbone interact. energy: 2.385
local terms energy: -143.724487
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -33.111
flat angles C4'-P-C4' energy: -34.015
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -313.991961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.991961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.991961 (E_RNA)
where:
Base-Base interactions energy: -189.549
where: short stacking energy: -78.182
Base-Backbone interact. energy: 2.637
local terms energy: -127.079766
where:
bonds (distance) C4'-P energy: -29.285
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -34.836
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -198.909511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.909511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.909511 (E_RNA)
where:
Base-Base interactions energy: -93.146
where: short stacking energy: -55.268
Base-Backbone interact. energy: 1.644
local terms energy: -107.418184
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -18.657
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: 0.011 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -157.615692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.615692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.615692 (E_RNA)
where:
Base-Base interactions energy: -51.026
where: short stacking energy: -37.790
Base-Backbone interact. energy: -0.756
local terms energy: -105.833626
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: 9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -590.292712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.292712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.292712 (E_RNA)
where:
Base-Base interactions energy: -420.874
where: short stacking energy: -164.315
Base-Backbone interact. energy: -1.794
local terms energy: -167.624454
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -51.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -575.490325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.490325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.490325 (E_RNA)
where:
Base-Base interactions energy: -399.897
where: short stacking energy: -155.598
Base-Backbone interact. energy: -2.178
local terms energy: -173.415902
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -36.101
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -45.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -557.401781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.401781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.401781 (E_RNA)
where:
Base-Base interactions energy: -383.551
where: short stacking energy: -162.067
Base-Backbone interact. energy: -0.212
local terms energy: -173.638150
where:
bonds (distance) C4'-P energy: -36.738
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -41.581
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -41.650
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: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -488.543537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.543537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.543537 (E_RNA)
where:
Base-Base interactions energy: -320.866
where: short stacking energy: -125.703
Base-Backbone interact. energy: 0.250
local terms energy: -167.927049
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -39.572
flat angles C4'-P-C4' energy: -39.201
flat angles P-C4'-P energy: -18.602
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: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -404.030680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.030680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.030680 (E_RNA)
where:
Base-Base interactions energy: -244.852
where: short stacking energy: -119.047
Base-Backbone interact. energy: -0.436
local terms energy: -158.742719
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -41.767
flat angles C4'-P-C4' energy: -32.639
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -26.232
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: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -345.566240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.566240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.566240 (E_RNA)
where:
Base-Base interactions energy: -209.392
where: short stacking energy: -96.539
Base-Backbone interact. energy: -0.417
local terms energy: -135.757615
where:
bonds (distance) C4'-P energy: -31.492
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -18.926
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: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -333.670047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.670047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.670047 (E_RNA)
where:
Base-Base interactions energy: -202.045
where: short stacking energy: -93.920
Base-Backbone interact. energy: -1.040
local terms energy: -130.585006
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -303.370171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.370171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.370171 (E_RNA)
where:
Base-Base interactions energy: -175.955
where: short stacking energy: -78.253
Base-Backbone interact. energy: -0.452
local terms energy: -126.963466
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -185.012071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.012071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.012071 (E_RNA)
where:
Base-Base interactions energy: -76.857
where: short stacking energy: -52.710
Base-Backbone interact. energy: -0.335
local terms energy: -107.820496
where:
bonds (distance) C4'-P energy: -33.565
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -8.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -166.758583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.758583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.758583 (E_RNA)
where:
Base-Base interactions energy: -62.401
where: short stacking energy: -47.981
Base-Backbone interact. energy: -0.276
local terms energy: -104.081484
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -589.007591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.007591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.007591 (E_RNA)
where:
Base-Base interactions energy: -408.412
where: short stacking energy: -165.775
Base-Backbone interact. energy: -0.787
local terms energy: -179.807855
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -31.433
tors. eta vs tors. theta energy: -51.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -572.780097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.780097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.780097 (E_RNA)
where:
Base-Base interactions energy: -394.147
where: short stacking energy: -163.368
Base-Backbone interact. energy: -1.128
local terms energy: -177.505253
where:
bonds (distance) C4'-P energy: -39.805
bonds (distance) P-C4' energy: -28.383
flat angles C4'-P-C4' energy: -39.615
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -42.284
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: 243
Temperature: 1.000000
Total energy: -563.982530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.982530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.982530 (E_RNA)
where:
Base-Base interactions energy: -398.384
where: short stacking energy: -151.369
Base-Backbone interact. energy: -1.395
local terms energy: -164.204236
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -38.121
flat angles C4'-P-C4' energy: -39.127
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -38.494
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: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -491.150504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.150504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.150504 (E_RNA)
where:
Base-Base interactions energy: -330.959
where: short stacking energy: -131.444
Base-Backbone interact. energy: -1.428
local terms energy: -158.763485
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -27.317
tors. eta vs tors. theta energy: -34.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -388.456650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.456650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.456650 (E_RNA)
where:
Base-Base interactions energy: -241.356
where: short stacking energy: -119.172
Base-Backbone interact. energy: -0.548
local terms energy: -146.552536
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -23.057
tors. eta vs tors. theta energy: -27.761
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: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -352.101436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.101436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.101436 (E_RNA)
where:
Base-Base interactions energy: -204.963
where: short stacking energy: -108.044
Base-Backbone interact. energy: -0.515
local terms energy: -146.623752
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -305.294959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.294959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.294959 (E_RNA)
where:
Base-Base interactions energy: -174.588
where: short stacking energy: -78.735
Base-Backbone interact. energy: -1.787
local terms energy: -128.920472
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -32.244
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -14.040
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: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -310.885878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.885878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.885878 (E_RNA)
where:
Base-Base interactions energy: -187.015
where: short stacking energy: -92.947
Base-Backbone interact. energy: -0.952
local terms energy: -122.919031
where:
bonds (distance) C4'-P energy: -29.450
bonds (distance) P-C4' energy: -37.368
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -5.328
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: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -216.319255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.319255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.319255 (E_RNA)
where:
Base-Base interactions energy: -100.791
where: short stacking energy: -55.610
Base-Backbone interact. energy: -0.078
local terms energy: -115.450160
where:
bonds (distance) C4'-P energy: -28.305
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -0.240
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: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -148.874954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.874954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.874954 (E_RNA)
where:
Base-Base interactions energy: -51.402
where: short stacking energy: -42.799
Base-Backbone interact. energy: 1.087
local terms energy: -100.649449
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: 10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.089 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -606.832201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.832201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.832201 (E_RNA)
where:
Base-Base interactions energy: -416.225
where: short stacking energy: -154.388
Base-Backbone interact. energy: -1.544
local terms energy: -189.063192
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -42.700
flat angles C4'-P-C4' energy: -40.736
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -44.404
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: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -570.696347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.696347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.696347 (E_RNA)
where:
Base-Base interactions energy: -386.158
where: short stacking energy: -155.408
Base-Backbone interact. energy: -1.503
local terms energy: -183.034959
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -39.720
flat angles C4'-P-C4' energy: -42.691
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -37.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -560.782144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.782144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.782144 (E_RNA)
where:
Base-Base interactions energy: -403.065
where: short stacking energy: -158.166
Base-Backbone interact. energy: -1.371
local terms energy: -156.346906
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -35.449
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -41.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -482.191341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.191341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.191341 (E_RNA)
where:
Base-Base interactions energy: -321.226
where: short stacking energy: -134.599
Base-Backbone interact. energy: -0.726
local terms energy: -160.239468
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -33.101
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -36.185
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: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -380.210949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.210949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.210949 (E_RNA)
where:
Base-Base interactions energy: -228.226
where: short stacking energy: -112.911
Base-Backbone interact. energy: -1.367
local terms energy: -150.618657
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -24.216
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: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -357.124192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.124192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.124192 (E_RNA)
where:
Base-Base interactions energy: -212.902
where: short stacking energy: -101.807
Base-Backbone interact. energy: 0.035
local terms energy: -146.286756
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -36.281
flat angles C4'-P-C4' energy: -33.748
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.030 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -312.642342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.642342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.642342 (E_RNA)
where:
Base-Base interactions energy: -183.802
where: short stacking energy: -76.894
Base-Backbone interact. energy: -0.616
local terms energy: -128.224958
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -34.247
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -241.981052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.981052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.981052 (E_RNA)
where:
Base-Base interactions energy: -123.901
where: short stacking energy: -57.553
Base-Backbone interact. energy: -0.460
local terms energy: -119.241445
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.622 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -182.313497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.313497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.313497 (E_RNA)
where:
Base-Base interactions energy: -83.080
where: short stacking energy: -58.000
Base-Backbone interact. energy: -0.801
local terms energy: -98.432795
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -201.591855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.591855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.591855 (E_RNA)
where:
Base-Base interactions energy: -81.293
where: short stacking energy: -58.578
Base-Backbone interact. energy: -1.515
local terms energy: -118.783482
where:
bonds (distance) C4'-P energy: -37.068
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: 1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -606.162977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.162977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.162977 (E_RNA)
where:
Base-Base interactions energy: -420.132
where: short stacking energy: -164.729
Base-Backbone interact. energy: -1.815
local terms energy: -184.215350
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: -48.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -561.868527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.868527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.868527 (E_RNA)
where:
Base-Base interactions energy: -407.817
where: short stacking energy: -154.608
Base-Backbone interact. energy: -0.730
local terms energy: -153.321733
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -45.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -569.285691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.285691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.285691 (E_RNA)
where:
Base-Base interactions energy: -406.790
where: short stacking energy: -160.843
Base-Backbone interact. energy: 1.525
local terms energy: -164.020472
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -31.549
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -26.975
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: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -468.891470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.891470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.891470 (E_RNA)
where:
Base-Base interactions energy: -324.025
where: short stacking energy: -124.380
Base-Backbone interact. energy: -0.041
local terms energy: -144.825565
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -31.600
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: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -378.028414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.028414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.028414 (E_RNA)
where:
Base-Base interactions energy: -222.607
where: short stacking energy: -112.541
Base-Backbone interact. energy: -0.439
local terms energy: -154.982551
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -37.170
flat angles C4'-P-C4' energy: -35.507
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -29.813
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: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -348.420043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.420043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.420043 (E_RNA)
where:
Base-Base interactions energy: -211.515
where: short stacking energy: -98.036
Base-Backbone interact. energy: -0.628
local terms energy: -136.277711
where:
bonds (distance) C4'-P energy: -34.070
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -33.848
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -21.646
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: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -318.741097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.741097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.741097 (E_RNA)
where:
Base-Base interactions energy: -184.516
where: short stacking energy: -94.635
Base-Backbone interact. energy: -2.812
local terms energy: -131.413719
where:
bonds (distance) C4'-P energy: -36.370
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -31.459
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -19.624
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: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -259.985546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.985546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.985546 (E_RNA)
where:
Base-Base interactions energy: -123.468
where: short stacking energy: -82.106
Base-Backbone interact. energy: -0.579
local terms energy: -135.938848
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -32.292
flat angles C4'-P-C4' energy: -31.036
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -192.652829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.652829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.652829 (E_RNA)
where:
Base-Base interactions energy: -80.469
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.761
local terms energy: -111.422950
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -30.701
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -10.922
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: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -213.750749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.750749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.750749 (E_RNA)
where:
Base-Base interactions energy: -98.774
where: short stacking energy: -43.784
Base-Backbone interact. energy: -0.650
local terms energy: -114.326938
where:
bonds (distance) C4'-P energy: -31.555
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -5.885
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: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -610.833313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.833313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.833313 (E_RNA)
where:
Base-Base interactions energy: -433.415
where: short stacking energy: -170.799
Base-Backbone interact. energy: 0.062
local terms energy: -177.480294
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -36.913
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -47.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -563.098757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.098757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.098757 (E_RNA)
where:
Base-Base interactions energy: -382.799
where: short stacking energy: -156.398
Base-Backbone interact. energy: -0.930
local terms energy: -179.369667
where:
bonds (distance) C4'-P energy: -30.724
bonds (distance) P-C4' energy: -40.117
flat angles C4'-P-C4' energy: -38.989
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -41.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -557.045359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.045359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.045359 (E_RNA)
where:
Base-Base interactions energy: -389.357
where: short stacking energy: -154.222
Base-Backbone interact. energy: -2.621
local terms energy: -165.067819
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -31.904
flat angles C4'-P-C4' energy: -40.175
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -41.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -443.089921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.089921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.089921 (E_RNA)
where:
Base-Base interactions energy: -280.850
where: short stacking energy: -107.451
Base-Backbone interact. energy: -1.601
local terms energy: -160.639820
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: -24.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -360.827512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.827512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.827512 (E_RNA)
where:
Base-Base interactions energy: -216.840
where: short stacking energy: -100.398
Base-Backbone interact. energy: -1.293
local terms energy: -143.297920
where:
bonds (distance) C4'-P energy: -38.369
bonds (distance) P-C4' energy: -31.404
flat angles C4'-P-C4' energy: -31.865
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.604 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -338.579514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.579514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.579514 (E_RNA)
where:
Base-Base interactions energy: -208.456
where: short stacking energy: -97.412
Base-Backbone interact. energy: 0.392
local terms energy: -130.515365
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -14.040
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: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -338.030093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.030093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.030093 (E_RNA)
where:
Base-Base interactions energy: -230.219
where: short stacking energy: -103.487
Base-Backbone interact. energy: -0.850
local terms energy: -106.960979
where:
bonds (distance) C4'-P energy: -7.117
bonds (distance) P-C4' energy: -36.647
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -228.569695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.569695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.569695 (E_RNA)
where:
Base-Base interactions energy: -103.115
where: short stacking energy: -54.657
Base-Backbone interact. energy: 0.849
local terms energy: -126.303921
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -37.544
flat angles C4'-P-C4' energy: -29.673
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -2.263
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: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -211.569541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.569541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.569541 (E_RNA)
where:
Base-Base interactions energy: -92.640
where: short stacking energy: -46.418
Base-Backbone interact. energy: -1.185
local terms energy: -117.744563
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -39.493
flat angles C4'-P-C4' energy: -28.871
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -188.390345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.390345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.390345 (E_RNA)
where:
Base-Base interactions energy: -93.209
where: short stacking energy: -62.842
Base-Backbone interact. energy: 0.252
local terms energy: -95.433019
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: 0.750
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: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -606.107516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.107516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.107516 (E_RNA)
where:
Base-Base interactions energy: -424.012
where: short stacking energy: -167.197
Base-Backbone interact. energy: -0.556
local terms energy: -181.539586
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -35.761
flat angles C4'-P-C4' energy: -39.070
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -45.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -562.987712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.987712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.987712 (E_RNA)
where:
Base-Base interactions energy: -383.509
where: short stacking energy: -169.028
Base-Backbone interact. energy: 2.792
local terms energy: -182.270831
where:
bonds (distance) C4'-P energy: -35.399
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -28.321
tors. eta vs tors. theta energy: -45.421
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: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -565.458442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.458442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.458442 (E_RNA)
where:
Base-Base interactions energy: -387.247
where: short stacking energy: -162.538
Base-Backbone interact. energy: -0.173
local terms energy: -178.038683
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -36.304
flat angles C4'-P-C4' energy: -36.696
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -47.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -432.908593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.908593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.908593 (E_RNA)
where:
Base-Base interactions energy: -290.739
where: short stacking energy: -116.184
Base-Backbone interact. energy: -2.166
local terms energy: -140.004490
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -372.977644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.977644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.977644 (E_RNA)
where:
Base-Base interactions energy: -236.825
where: short stacking energy: -108.461
Base-Backbone interact. energy: -0.391
local terms energy: -135.761646
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -373.395206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.395206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.395206 (E_RNA)
where:
Base-Base interactions energy: -246.598
where: short stacking energy: -106.145
Base-Backbone interact. energy: 0.343
local terms energy: -127.140453
where:
bonds (distance) C4'-P energy: -25.228
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -329.423141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.423141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.423141 (E_RNA)
where:
Base-Base interactions energy: -184.128
where: short stacking energy: -99.019
Base-Backbone interact. energy: -0.368
local terms energy: -144.926456
where:
bonds (distance) C4'-P energy: -35.515
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -303.093786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.093786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.093786 (E_RNA)
where:
Base-Base interactions energy: -178.057
where: short stacking energy: -68.481
Base-Backbone interact. energy: -1.474
local terms energy: -123.563546
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -21.308
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: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -200.364657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.364657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.364657 (E_RNA)
where:
Base-Base interactions energy: -107.171
where: short stacking energy: -50.254
Base-Backbone interact. energy: 1.571
local terms energy: -94.764679
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -39.813
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: 12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -160.998140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.998140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.998140 (E_RNA)
where:
Base-Base interactions energy: -63.084
where: short stacking energy: -50.157
Base-Backbone interact. energy: 0.476
local terms energy: -98.642447
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -33.708
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -25.300
tors. eta vs tors. theta energy: 2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.253 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -596.910915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.910915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.910915 (E_RNA)
where:
Base-Base interactions energy: -420.886
where: short stacking energy: -179.833
Base-Backbone interact. energy: -1.887
local terms energy: -174.352577
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -33.774
flat angles C4'-P-C4' energy: -36.666
flat angles P-C4'-P energy: -27.599
tors. eta vs tors. theta energy: -48.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.214 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -555.438509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.438509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.438509 (E_RNA)
where:
Base-Base interactions energy: -375.039
where: short stacking energy: -155.084
Base-Backbone interact. energy: -3.261
local terms energy: -177.138810
where:
bonds (distance) C4'-P energy: -35.914
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -40.647
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -42.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -559.704257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.704257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.704257 (E_RNA)
where:
Base-Base interactions energy: -385.088
where: short stacking energy: -152.889
Base-Backbone interact. energy: -0.465
local terms energy: -174.150660
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -40.174
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: -42.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -443.998424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.998424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.998424 (E_RNA)
where:
Base-Base interactions energy: -274.701
where: short stacking energy: -122.019
Base-Backbone interact. energy: -0.504
local terms energy: -168.793594
where:
bonds (distance) C4'-P energy: -37.516
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -37.359
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: -31.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -361.500540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.500540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.500540 (E_RNA)
where:
Base-Base interactions energy: -226.356
where: short stacking energy: -95.010
Base-Backbone interact. energy: -0.360
local terms energy: -134.784872
where:
bonds (distance) C4'-P energy: -32.433
bonds (distance) P-C4' energy: -33.084
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -24.899
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: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -339.324687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.324687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.324687 (E_RNA)
where:
Base-Base interactions energy: -210.477
where: short stacking energy: -93.177
Base-Backbone interact. energy: -0.691
local terms energy: -128.156728
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -22.453
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: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -327.808314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.808314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.808314 (E_RNA)
where:
Base-Base interactions energy: -207.577
where: short stacking energy: -101.974
Base-Backbone interact. energy: -0.693
local terms energy: -119.538352
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -18.438
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: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -326.933709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.933709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.933709 (E_RNA)
where:
Base-Base interactions energy: -222.512
where: short stacking energy: -88.542
Base-Backbone interact. energy: 0.110
local terms energy: -104.611057
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -175.504852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.504852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.504852 (E_RNA)
where:
Base-Base interactions energy: -45.753
where: short stacking energy: -42.531
Base-Backbone interact. energy: -0.548
local terms energy: -129.203636
where:
bonds (distance) C4'-P energy: -38.091
bonds (distance) P-C4' energy: -37.504
flat angles C4'-P-C4' energy: -30.221
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -181.152461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.152461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.152461 (E_RNA)
where:
Base-Base interactions energy: -78.297
where: short stacking energy: -59.820
Base-Backbone interact. energy: 1.809
local terms energy: -105.649800
where:
bonds (distance) C4'-P energy: -38.089
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.985 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -599.330857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.330857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.330857 (E_RNA)
where:
Base-Base interactions energy: -413.550
where: short stacking energy: -157.179
Base-Backbone interact. energy: -0.770
local terms energy: -185.732417
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -37.907
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -47.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.721 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -579.834434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.834434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.834434 (E_RNA)
where:
Base-Base interactions energy: -406.916
where: short stacking energy: -163.366
Base-Backbone interact. energy: -0.356
local terms energy: -172.562302
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -35.449
flat angles C4'-P-C4' energy: -37.169
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -45.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -551.554916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.554916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.554916 (E_RNA)
where:
Base-Base interactions energy: -382.820
where: short stacking energy: -138.925
Base-Backbone interact. energy: -2.224
local terms energy: -166.510561
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -37.484
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -41.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -433.863278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.863278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.863278 (E_RNA)
where:
Base-Base interactions energy: -286.673
where: short stacking energy: -116.238
Base-Backbone interact. energy: -1.204
local terms energy: -145.986238
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -28.590
flat angles C4'-P-C4' energy: -34.638
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -31.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -342.316177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.316177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.316177 (E_RNA)
where:
Base-Base interactions energy: -215.520
where: short stacking energy: -89.110
Base-Backbone interact. energy: 1.236
local terms energy: -128.032208
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -29.479
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -327.641426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.641426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.641426 (E_RNA)
where:
Base-Base interactions energy: -187.730
where: short stacking energy: -101.804
Base-Backbone interact. energy: 0.236
local terms energy: -140.147476
where:
bonds (distance) C4'-P energy: -37.713
bonds (distance) P-C4' energy: -38.321
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -342.257567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.257567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.257567 (E_RNA)
where:
Base-Base interactions energy: -208.369
where: short stacking energy: -96.622
Base-Backbone interact. energy: -0.689
local terms energy: -133.200370
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -14.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -323.259456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.259456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.259456 (E_RNA)
where:
Base-Base interactions energy: -202.185
where: short stacking energy: -88.806
Base-Backbone interact. energy: -0.650
local terms energy: -120.424213
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -30.285
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -10.698
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: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -189.019336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.019336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.019336 (E_RNA)
where:
Base-Base interactions energy: -83.379
where: short stacking energy: -45.105
Base-Backbone interact. energy: -0.158
local terms energy: -105.482709
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -180.551681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.551681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.551681 (E_RNA)
where:
Base-Base interactions energy: -87.314
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.761
local terms energy: -92.972333
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.496 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -582.371602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.371602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.371602 (E_RNA)
where:
Base-Base interactions energy: -395.841
where: short stacking energy: -159.227
Base-Backbone interact. energy: -0.222
local terms energy: -186.308553
where:
bonds (distance) C4'-P energy: -35.176
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -30.547
tors. eta vs tors. theta energy: -45.903
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: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -571.008922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.008922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.008922 (E_RNA)
where:
Base-Base interactions energy: -398.511
where: short stacking energy: -160.343
Base-Backbone interact. energy: 0.032
local terms energy: -172.530179
where:
bonds (distance) C4'-P energy: -35.155
bonds (distance) P-C4' energy: -37.480
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -43.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -531.590102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.590102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.590102 (E_RNA)
where:
Base-Base interactions energy: -378.407
where: short stacking energy: -151.151
Base-Backbone interact. energy: -0.252
local terms energy: -152.930741
where:
bonds (distance) C4'-P energy: -30.031
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -38.341
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: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -489.308358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.308358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.308358 (E_RNA)
where:
Base-Base interactions energy: -326.551
where: short stacking energy: -133.969
Base-Backbone interact. energy: -1.928
local terms energy: -160.828700
where:
bonds (distance) C4'-P energy: -31.745
bonds (distance) P-C4' energy: -39.884
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -33.838
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: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -380.497955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.497955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.497955 (E_RNA)
where:
Base-Base interactions energy: -242.204
where: short stacking energy: -99.238
Base-Backbone interact. energy: -0.769
local terms energy: -137.524736
where:
bonds (distance) C4'-P energy: -35.582
bonds (distance) P-C4' energy: -38.451
flat angles C4'-P-C4' energy: -28.901
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -371.785638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.785638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.785638 (E_RNA)
where:
Base-Base interactions energy: -241.079
where: short stacking energy: -100.082
Base-Backbone interact. energy: 0.503
local terms energy: -131.378208
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -31.064
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -24.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.168 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -318.009249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.009249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.009249 (E_RNA)
where:
Base-Base interactions energy: -180.908
where: short stacking energy: -87.068
Base-Backbone interact. energy: 4.103
local terms energy: -141.203842
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -40.494
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -15.212
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: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -283.437931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.437931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.437931 (E_RNA)
where:
Base-Base interactions energy: -165.992
where: short stacking energy: -74.116
Base-Backbone interact. energy: -0.731
local terms energy: -116.969981
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -39.189
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -11.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.255 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -217.252957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.252957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.252957 (E_RNA)
where:
Base-Base interactions energy: -96.683
where: short stacking energy: -62.515
Base-Backbone interact. energy: -0.508
local terms energy: -120.061377
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -181.724252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.724252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.724252 (E_RNA)
where:
Base-Base interactions energy: -79.395
where: short stacking energy: -44.264
Base-Backbone interact. energy: 0.674
local terms energy: -103.003206
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -591.859849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.859849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.859849 (E_RNA)
where:
Base-Base interactions energy: -406.871
where: short stacking energy: -177.534
Base-Backbone interact. energy: -0.771
local terms energy: -184.218628
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -33.165
flat angles C4'-P-C4' energy: -41.839
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: -46.832
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: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -581.494778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.494778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.494778 (E_RNA)
where:
Base-Base interactions energy: -401.782
where: short stacking energy: -162.218
Base-Backbone interact. energy: -1.853
local terms energy: -177.932630
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -39.293
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -41.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.073 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -546.505345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.505345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.505345 (E_RNA)
where:
Base-Base interactions energy: -361.779
where: short stacking energy: -141.324
Base-Backbone interact. energy: -0.102
local terms energy: -184.625043
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -35.496
flat angles P-C4'-P energy: -29.951
tors. eta vs tors. theta energy: -43.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -492.478538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.478538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.478538 (E_RNA)
where:
Base-Base interactions energy: -318.329
where: short stacking energy: -135.748
Base-Backbone interact. energy: -1.886
local terms energy: -172.263573
where:
bonds (distance) C4'-P energy: -29.450
bonds (distance) P-C4' energy: -40.676
flat angles C4'-P-C4' energy: -41.313
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -40.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -412.427488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.427488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.427488 (E_RNA)
where:
Base-Base interactions energy: -254.970
where: short stacking energy: -111.816
Base-Backbone interact. energy: -1.988
local terms energy: -155.469905
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -23.263
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: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -332.154957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.154957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.154957 (E_RNA)
where:
Base-Base interactions energy: -204.720
where: short stacking energy: -97.224
Base-Backbone interact. energy: -0.662
local terms energy: -128.114766
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -32.084
flat angles C4'-P-C4' energy: -29.529
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.342 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -311.692416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.692416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.692416 (E_RNA)
where:
Base-Base interactions energy: -193.270
where: short stacking energy: -100.348
Base-Backbone interact. energy: 3.341
local terms energy: -121.763233
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -37.448
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -15.232
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: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -286.287585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.287585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.287585 (E_RNA)
where:
Base-Base interactions energy: -161.075
where: short stacking energy: -81.594
Base-Backbone interact. energy: -0.994
local terms energy: -124.217958
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -184.830089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.830089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.830089 (E_RNA)
where:
Base-Base interactions energy: -77.065
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.327
local terms energy: -107.438691
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: 4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -162.895519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.895519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.895519 (E_RNA)
where:
Base-Base interactions energy: -62.892
where: short stacking energy: -44.995
Base-Backbone interact. energy: 4.139
local terms energy: -105.148938
where:
bonds (distance) C4'-P energy: -25.462
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.006 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -588.278186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.278186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.278186 (E_RNA)
where:
Base-Base interactions energy: -404.305
where: short stacking energy: -170.878
Base-Backbone interact. energy: -1.451
local terms energy: -182.522947
where:
bonds (distance) C4'-P energy: -33.552
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -38.522
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -51.366
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: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -574.625169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.625169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.625169 (E_RNA)
where:
Base-Base interactions energy: -390.629
where: short stacking energy: -154.282
Base-Backbone interact. energy: -0.598
local terms energy: -183.397872
where:
bonds (distance) C4'-P energy: -38.049
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -43.018
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -46.513
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: 252
Temperature: 1.000000
Total energy: -535.612170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.612170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.612170 (E_RNA)
where:
Base-Base interactions energy: -362.705
where: short stacking energy: -130.431
Base-Backbone interact. energy: -1.335
local terms energy: -171.571641
where:
bonds (distance) C4'-P energy: -38.300
bonds (distance) P-C4' energy: -36.714
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -40.274
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: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -479.226423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.226423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.226423 (E_RNA)
where:
Base-Base interactions energy: -304.099
where: short stacking energy: -125.227
Base-Backbone interact. energy: -3.513
local terms energy: -171.614554
where:
bonds (distance) C4'-P energy: -37.463
bonds (distance) P-C4' energy: -40.297
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -36.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -439.523728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.523728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.523728 (E_RNA)
where:
Base-Base interactions energy: -285.459
where: short stacking energy: -120.252
Base-Backbone interact. energy: -0.253
local terms energy: -153.812317
where:
bonds (distance) C4'-P energy: -33.012
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -362.059347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.059347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.059347 (E_RNA)
where:
Base-Base interactions energy: -225.845
where: short stacking energy: -108.134
Base-Backbone interact. energy: -0.886
local terms energy: -135.328651
where:
bonds (distance) C4'-P energy: -32.942
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -315.775398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.775398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.775398 (E_RNA)
where:
Base-Base interactions energy: -189.771
where: short stacking energy: -94.940
Base-Backbone interact. energy: -0.739
local terms energy: -125.264906
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -294.467099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.467099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.467099 (E_RNA)
where:
Base-Base interactions energy: -183.403
where: short stacking energy: -78.766
Base-Backbone interact. energy: -1.551
local terms energy: -109.513501
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -34.149
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -192.775492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.775492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.775492 (E_RNA)
where:
Base-Base interactions energy: -85.459
where: short stacking energy: -54.388
Base-Backbone interact. energy: 1.812
local terms energy: -109.145374
where:
bonds (distance) C4'-P energy: -39.913
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: 2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.017 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -159.180416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.180416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.180416 (E_RNA)
where:
Base-Base interactions energy: -43.394
where: short stacking energy: -36.031
Base-Backbone interact. energy: 0.532
local terms energy: -116.318038
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -6.870
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: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -599.606556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.606556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.606556 (E_RNA)
where:
Base-Base interactions energy: -418.897
where: short stacking energy: -179.700
Base-Backbone interact. energy: -1.682
local terms energy: -179.027114
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -33.692
flat angles C4'-P-C4' energy: -43.409
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -49.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -570.192580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.192580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.192580 (E_RNA)
where:
Base-Base interactions energy: -397.431
where: short stacking energy: -161.818
Base-Backbone interact. energy: -0.730
local terms energy: -172.031237
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -40.677
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -47.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -543.929532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.929532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.929532 (E_RNA)
where:
Base-Base interactions energy: -373.409
where: short stacking energy: -153.594
Base-Backbone interact. energy: -0.681
local terms energy: -169.839841
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -36.512
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -43.374
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: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -500.907746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.907746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.907746 (E_RNA)
where:
Base-Base interactions energy: -324.253
where: short stacking energy: -132.447
Base-Backbone interact. energy: -0.946
local terms energy: -175.708782
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -38.261
flat angles P-C4'-P energy: -29.039
tors. eta vs tors. theta energy: -44.012
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: 5, replica: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -451.165399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.165399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.165399 (E_RNA)
where:
Base-Base interactions energy: -296.884
where: short stacking energy: -128.909
Base-Backbone interact. energy: -1.042
local terms energy: -153.239999
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -30.900
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: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -327.165928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.165928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.165928 (E_RNA)
where:
Base-Base interactions energy: -200.273
where: short stacking energy: -82.545
Base-Backbone interact. energy: -1.658
local terms energy: -125.235104
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -33.064
flat angles C4'-P-C4' energy: -35.869
flat angles P-C4'-P energy: -18.135
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: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -341.426788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.426788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.426788 (E_RNA)
where:
Base-Base interactions energy: -215.987
where: short stacking energy: -92.456
Base-Backbone interact. energy: 0.948
local terms energy: -126.388036
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -12.407
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: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -313.741510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.741510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.741510 (E_RNA)
where:
Base-Base interactions energy: -180.959
where: short stacking energy: -92.996
Base-Backbone interact. energy: -0.707
local terms energy: -132.074866
where:
bonds (distance) C4'-P energy: -36.901
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -24.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -161.539017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.539017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.539017 (E_RNA)
where:
Base-Base interactions energy: -64.935
where: short stacking energy: -49.345
Base-Backbone interact. energy: -0.958
local terms energy: -96.067254
where:
bonds (distance) C4'-P energy: -27.788
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: 5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.421 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -156.798320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.798320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.798320 (E_RNA)
where:
Base-Base interactions energy: -55.305
where: short stacking energy: -46.022
Base-Backbone interact. energy: -1.142
local terms energy: -100.351208
where:
bonds (distance) C4'-P energy: -34.860
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -19.762
tors. eta vs tors. theta energy: -1.898
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: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -582.963160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.963160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.963160 (E_RNA)
where:
Base-Base interactions energy: -393.397
where: short stacking energy: -157.507
Base-Backbone interact. energy: -2.508
local terms energy: -187.058024
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -38.003
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -51.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -590.655486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.655486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.655486 (E_RNA)
where:
Base-Base interactions energy: -420.936
where: short stacking energy: -159.646
Base-Backbone interact. energy: -1.600
local terms energy: -168.119748
where:
bonds (distance) C4'-P energy: -31.695
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -42.858
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: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -482.402238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.402238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.402238 (E_RNA)
where:
Base-Base interactions energy: -314.774
where: short stacking energy: -135.653
Base-Backbone interact. energy: -0.709
local terms energy: -166.919201
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -43.827
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -34.806
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: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -535.198683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.198683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.198683 (E_RNA)
where:
Base-Base interactions energy: -370.163
where: short stacking energy: -147.774
Base-Backbone interact. energy: 0.891
local terms energy: -165.926861
where:
bonds (distance) C4'-P energy: -30.804
bonds (distance) P-C4' energy: -34.945
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -29.186
tors. eta vs tors. theta energy: -36.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -440.084051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.084051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.084051 (E_RNA)
where:
Base-Base interactions energy: -284.016
where: short stacking energy: -118.017
Base-Backbone interact. energy: -0.821
local terms energy: -155.247341
where:
bonds (distance) C4'-P energy: -35.047
bonds (distance) P-C4' energy: -33.142
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -30.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -300.672839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.672839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.672839 (E_RNA)
where:
Base-Base interactions energy: -170.270
where: short stacking energy: -80.194
Base-Backbone interact. energy: -1.535
local terms energy: -128.867751
where:
bonds (distance) C4'-P energy: -31.168
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -315.636748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.636748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.636748 (E_RNA)
where:
Base-Base interactions energy: -195.420
where: short stacking energy: -100.004
Base-Backbone interact. energy: 3.008
local terms energy: -123.902622
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.678 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -302.103224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.103224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.103224 (E_RNA)
where:
Base-Base interactions energy: -185.624
where: short stacking energy: -80.973
Base-Backbone interact. energy: 1.032
local terms energy: -117.511909
where:
bonds (distance) C4'-P energy: -27.725
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -12.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -170.948578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.948578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.948578 (E_RNA)
where:
Base-Base interactions energy: -69.612
where: short stacking energy: -68.798
Base-Backbone interact. energy: -0.561
local terms energy: -100.774942
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -38.562
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -17.843
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: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -152.453079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.453079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.453079 (E_RNA)
where:
Base-Base interactions energy: -45.492
where: short stacking energy: -39.207
Base-Backbone interact. energy: 0.471
local terms energy: -107.431574
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -30.213
flat angles C4'-P-C4' energy: -31.648
flat angles P-C4'-P energy: -17.358
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: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -586.972625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.972625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.972625 (E_RNA)
where:
Base-Base interactions energy: -402.219
where: short stacking energy: -163.833
Base-Backbone interact. energy: -2.657
local terms energy: -182.096285
where:
bonds (distance) C4'-P energy: -33.850
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -51.638
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: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -582.905649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.905649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.905649 (E_RNA)
where:
Base-Base interactions energy: -403.457
where: short stacking energy: -156.204
Base-Backbone interact. energy: -0.844
local terms energy: -178.604940
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -38.040
flat angles C4'-P-C4' energy: -39.137
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -45.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -498.063617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.063617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.063617 (E_RNA)
where:
Base-Base interactions energy: -328.790
where: short stacking energy: -140.053
Base-Backbone interact. energy: -1.765
local terms energy: -167.508916
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -27.291
tors. eta vs tors. theta energy: -37.495
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: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -532.205839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.205839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.205839 (E_RNA)
where:
Base-Base interactions energy: -371.686
where: short stacking energy: -138.238
Base-Backbone interact. energy: -0.549
local terms energy: -159.971327
where:
bonds (distance) C4'-P energy: -30.391
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -40.399
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -37.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -399.299090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.299090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.299090 (E_RNA)
where:
Base-Base interactions energy: -262.009
where: short stacking energy: -105.283
Base-Backbone interact. energy: -1.266
local terms energy: -136.024582
where:
bonds (distance) C4'-P energy: -29.941
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -23.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -355.992188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.992188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.992188 (E_RNA)
where:
Base-Base interactions energy: -204.126
where: short stacking energy: -99.624
Base-Backbone interact. energy: 0.991
local terms energy: -153.999129
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -31.345
flat angles P-C4'-P energy: -22.729
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: 1.142 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -305.805744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.805744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.805744 (E_RNA)
where:
Base-Base interactions energy: -177.634
where: short stacking energy: -78.088
Base-Backbone interact. energy: -0.256
local terms energy: -127.916208
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -35.167
flat angles C4'-P-C4' energy: -29.493
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -16.152
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: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -299.171561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.171561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.171561 (E_RNA)
where:
Base-Base interactions energy: -181.258
where: short stacking energy: -84.724
Base-Backbone interact. energy: -0.682
local terms energy: -117.231027
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -42.309
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -177.677214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.677214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.677214 (E_RNA)
where:
Base-Base interactions energy: -69.714
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.492
local terms energy: -107.933165
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: 3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.462 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -152.054734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.054734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.054734 (E_RNA)
where:
Base-Base interactions energy: -57.730
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.378
local terms energy: -93.946743
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -602.789630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.789630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.789630 (E_RNA)
where:
Base-Base interactions energy: -413.159
where: short stacking energy: -167.701
Base-Backbone interact. energy: -2.138
local terms energy: -187.492103
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -39.359
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -45.300
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: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -581.788128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.788128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.788128 (E_RNA)
where:
Base-Base interactions energy: -400.615
where: short stacking energy: -157.888
Base-Backbone interact. energy: 1.568
local terms energy: -182.740746
where:
bonds (distance) C4'-P energy: -34.225
bonds (distance) P-C4' energy: -39.406
flat angles C4'-P-C4' energy: -38.725
flat angles P-C4'-P energy: -29.304
tors. eta vs tors. theta energy: -41.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -543.038482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.038482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.038482 (E_RNA)
where:
Base-Base interactions energy: -376.254
where: short stacking energy: -145.073
Base-Backbone interact. energy: -1.744
local terms energy: -165.040336
where:
bonds (distance) C4'-P energy: -37.119
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -37.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -491.826950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.826950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.826950 (E_RNA)
where:
Base-Base interactions energy: -331.321
where: short stacking energy: -133.800
Base-Backbone interact. energy: -0.717
local terms energy: -159.789887
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -40.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -364.481834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.481834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.481834 (E_RNA)
where:
Base-Base interactions energy: -214.569
where: short stacking energy: -112.707
Base-Backbone interact. energy: -0.103
local terms energy: -149.810199
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -32.829
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -32.909
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: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -408.941141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.941141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.941141 (E_RNA)
where:
Base-Base interactions energy: -268.940
where: short stacking energy: -115.136
Base-Backbone interact. energy: -1.450
local terms energy: -138.551401
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -348.590189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.590189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.590189 (E_RNA)
where:
Base-Base interactions energy: -217.441
where: short stacking energy: -88.135
Base-Backbone interact. energy: -0.491
local terms energy: -130.658297
where:
bonds (distance) C4'-P energy: -33.850
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -28.509
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -290.197325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.197325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.197325 (E_RNA)
where:
Base-Base interactions energy: -157.246
where: short stacking energy: -73.257
Base-Backbone interact. energy: -0.573
local terms energy: -132.378071
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -35.993
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -195.803968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.803968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.803968 (E_RNA)
where:
Base-Base interactions energy: -77.835
where: short stacking energy: -71.294
Base-Backbone interact. energy: 0.679
local terms energy: -118.647859
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -20.592
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: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -165.779088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.779088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.779088 (E_RNA)
where:
Base-Base interactions energy: -51.487
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.956
local terms energy: -113.336030
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -28.892
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: 7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -591.843145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.843145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.843145 (E_RNA)
where:
Base-Base interactions energy: -399.372
where: short stacking energy: -168.130
Base-Backbone interact. energy: -1.272
local terms energy: -191.199016
where:
bonds (distance) C4'-P energy: -36.598
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -39.991
flat angles P-C4'-P energy: -31.644
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: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -584.853824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.853824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.853824 (E_RNA)
where:
Base-Base interactions energy: -416.002
where: short stacking energy: -167.632
Base-Backbone interact. energy: -0.697
local terms energy: -168.154798
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -35.530
flat angles C4'-P-C4' energy: -30.810
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -40.284
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: 257
Temperature: 1.000000
Total energy: -548.517924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.517924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.517924 (E_RNA)
where:
Base-Base interactions energy: -394.882
where: short stacking energy: -150.377
Base-Backbone interact. energy: -0.504
local terms energy: -153.131586
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -36.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -465.478343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.478343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.478343 (E_RNA)
where:
Base-Base interactions energy: -312.451
where: short stacking energy: -120.863
Base-Backbone interact. energy: -1.849
local terms energy: -151.177744
where:
bonds (distance) C4'-P energy: -30.172
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -25.452
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: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -406.044108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.044108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.044108 (E_RNA)
where:
Base-Base interactions energy: -262.033
where: short stacking energy: -119.447
Base-Backbone interact. energy: -1.851
local terms energy: -142.765584
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.605 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -415.448169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.448169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.448169 (E_RNA)
where:
Base-Base interactions energy: -267.170
where: short stacking energy: -116.016
Base-Backbone interact. energy: -0.596
local terms energy: -147.682061
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -23.237
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: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -348.210195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.210195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.210195 (E_RNA)
where:
Base-Base interactions energy: -204.693
where: short stacking energy: -92.510
Base-Backbone interact. energy: -1.142
local terms energy: -142.375401
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -37.083
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -19.381
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: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -322.576977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.576977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.576977 (E_RNA)
where:
Base-Base interactions energy: -206.521
where: short stacking energy: -99.354
Base-Backbone interact. energy: 2.419
local terms energy: -118.475041
where:
bonds (distance) C4'-P energy: -28.815
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -163.677843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.677843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.677843 (E_RNA)
where:
Base-Base interactions energy: -46.581
where: short stacking energy: -40.514
Base-Backbone interact. energy: -1.378
local terms energy: -115.718244
where:
bonds (distance) C4'-P energy: -38.376
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -29.757
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: 0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -159.014926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.014926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.014926 (E_RNA)
where:
Base-Base interactions energy: -63.126
where: short stacking energy: -45.895
Base-Backbone interact. energy: 2.934
local terms energy: -98.822797
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: 2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -590.290031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.290031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.290031 (E_RNA)
where:
Base-Base interactions energy: -409.074
where: short stacking energy: -161.714
Base-Backbone interact. energy: -0.357
local terms energy: -180.899802
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -33.015
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -48.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.041 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -563.216999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.216999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.216999 (E_RNA)
where:
Base-Base interactions energy: -378.715
where: short stacking energy: -147.531
Base-Backbone interact. energy: -0.629
local terms energy: -183.872629
where:
bonds (distance) C4'-P energy: -35.543
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -45.556
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -43.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -554.608497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.608497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.608497 (E_RNA)
where:
Base-Base interactions energy: -380.768
where: short stacking energy: -137.095
Base-Backbone interact. energy: -2.784
local terms energy: -171.056979
where:
bonds (distance) C4'-P energy: -36.330
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -39.984
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -38.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -444.501647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.501647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.501647 (E_RNA)
where:
Base-Base interactions energy: -295.992
where: short stacking energy: -116.966
Base-Backbone interact. energy: -0.593
local terms energy: -147.916460
where:
bonds (distance) C4'-P energy: -24.973
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -36.058
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -29.298
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: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -364.388900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.388900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.388900 (E_RNA)
where:
Base-Base interactions energy: -221.368
where: short stacking energy: -113.848
Base-Backbone interact. energy: -0.293
local terms energy: -142.727615
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -37.311
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -21.261
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -403.339986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.339986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.339986 (E_RNA)
where:
Base-Base interactions energy: -263.140
where: short stacking energy: -118.417
Base-Backbone interact. energy: -0.413
local terms energy: -139.787143
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -39.667
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -344.236143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.236143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.236143 (E_RNA)
where:
Base-Base interactions energy: -200.124
where: short stacking energy: -97.931
Base-Backbone interact. energy: -0.551
local terms energy: -143.560932
where:
bonds (distance) C4'-P energy: -30.218
bonds (distance) P-C4' energy: -38.819
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -25.170
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: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -300.885669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.885669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.885669 (E_RNA)
where:
Base-Base interactions energy: -175.204
where: short stacking energy: -74.242
Base-Backbone interact. energy: -1.297
local terms energy: -124.385010
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -37.781
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -162.039132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.039132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.039132 (E_RNA)
where:
Base-Base interactions energy: -50.454
where: short stacking energy: -35.471
Base-Backbone interact. energy: 1.742
local terms energy: -114.055134
where:
bonds (distance) C4'-P energy: -38.299
bonds (distance) P-C4' energy: -36.490
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: 3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.728 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -182.913477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.913477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.913477 (E_RNA)
where:
Base-Base interactions energy: -62.317
where: short stacking energy: -59.205
Base-Backbone interact. energy: -1.116
local terms energy: -119.479815
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -589.629850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.629850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.629850 (E_RNA)
where:
Base-Base interactions energy: -410.878
where: short stacking energy: -161.464
Base-Backbone interact. energy: 2.298
local terms energy: -182.107081
where:
bonds (distance) C4'-P energy: -38.296
bonds (distance) P-C4' energy: -37.675
flat angles C4'-P-C4' energy: -35.315
flat angles P-C4'-P energy: -26.336
tors. eta vs tors. theta energy: -44.486
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: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -564.465054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.465054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.465054 (E_RNA)
where:
Base-Base interactions energy: -394.021
where: short stacking energy: -164.396
Base-Backbone interact. energy: 0.184
local terms energy: -170.627231
where:
bonds (distance) C4'-P energy: -38.903
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -49.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -550.261343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.261343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.261343 (E_RNA)
where:
Base-Base interactions energy: -389.164
where: short stacking energy: -153.094
Base-Backbone interact. energy: -1.464
local terms energy: -159.633677
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -36.870
flat angles P-C4'-P energy: -29.019
tors. eta vs tors. theta energy: -40.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -451.531698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.531698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.531698 (E_RNA)
where:
Base-Base interactions energy: -298.222
where: short stacking energy: -127.615
Base-Backbone interact. energy: -0.245
local terms energy: -153.064752
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -31.878
flat angles P-C4'-P energy: -24.718
tors. eta vs tors. theta energy: -33.901
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: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -373.047502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.047502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.047502 (E_RNA)
where:
Base-Base interactions energy: -226.910
where: short stacking energy: -105.552
Base-Backbone interact. energy: -0.221
local terms energy: -145.916394
where:
bonds (distance) C4'-P energy: -30.479
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -23.387
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: 259
Temperature: 1.150000
Total energy: -389.393950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.393950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.393950 (E_RNA)
where:
Base-Base interactions energy: -265.685
where: short stacking energy: -102.450
Base-Backbone interact. energy: 1.138
local terms energy: -125.311493
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -36.303
flat angles C4'-P-C4' energy: -29.469
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.464 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -367.495001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.495001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.495001 (E_RNA)
where:
Base-Base interactions energy: -228.674
where: short stacking energy: -100.071
Base-Backbone interact. energy: 1.908
local terms energy: -140.728333
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -32.476
flat angles P-C4'-P energy: -26.728
tors. eta vs tors. theta energy: -22.076
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: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -309.911528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.911528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.911528 (E_RNA)
where:
Base-Base interactions energy: -181.373
where: short stacking energy: -77.116
Base-Backbone interact. energy: 0.508
local terms energy: -129.046741
where:
bonds (distance) C4'-P energy: -32.448
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -175.471794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.471794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.471794 (E_RNA)
where:
Base-Base interactions energy: -66.939
where: short stacking energy: -62.095
Base-Backbone interact. energy: -0.259
local terms energy: -108.273237
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -158.449613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.449613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.449613 (E_RNA)
where:
Base-Base interactions energy: -58.677
where: short stacking energy: -42.856
Base-Backbone interact. energy: -0.733
local terms energy: -100.558518
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.518 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -560.947997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.947997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.947997 (E_RNA)
where:
Base-Base interactions energy: -385.172
where: short stacking energy: -158.183
Base-Backbone interact. energy: -1.340
local terms energy: -174.436584
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -39.134
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -41.460
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: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -589.619284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.619284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.619284 (E_RNA)
where:
Base-Base interactions energy: -404.645
where: short stacking energy: -163.464
Base-Backbone interact. energy: -1.756
local terms energy: -183.688019
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -39.776
flat angles C4'-P-C4' energy: -35.855
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -46.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.470 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -540.145109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.145109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.145109 (E_RNA)
where:
Base-Base interactions energy: -372.108
where: short stacking energy: -139.703
Base-Backbone interact. energy: -0.776
local terms energy: -167.261834
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -40.866
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -36.006
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: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -449.295661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.295661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.295661 (E_RNA)
where:
Base-Base interactions energy: -298.239
where: short stacking energy: -134.703
Base-Backbone interact. energy: -1.762
local terms energy: -149.294471
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -36.404
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: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -420.728398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.728398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.728398 (E_RNA)
where:
Base-Base interactions energy: -278.997
where: short stacking energy: -114.075
Base-Backbone interact. energy: -1.239
local terms energy: -140.493255
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -37.202
flat angles P-C4'-P energy: -18.124
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: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -374.693810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.693810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.693810 (E_RNA)
where:
Base-Base interactions energy: -229.867
where: short stacking energy: -112.951
Base-Backbone interact. energy: -0.181
local terms energy: -144.645249
where:
bonds (distance) C4'-P energy: -32.346
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -32.019
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -29.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -310.234791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.234791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.234791 (E_RNA)
where:
Base-Base interactions energy: -178.748
where: short stacking energy: -95.767
Base-Backbone interact. energy: -0.935
local terms energy: -130.552424
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -31.582
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -342.451859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.451859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.451859 (E_RNA)
where:
Base-Base interactions energy: -220.889
where: short stacking energy: -88.352
Base-Backbone interact. energy: 1.831
local terms energy: -123.394250
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -34.085
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -7.996
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: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -168.836027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.836027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.836027 (E_RNA)
where:
Base-Base interactions energy: -47.047
where: short stacking energy: -38.673
Base-Backbone interact. energy: 0.339
local terms energy: -122.128321
where:
bonds (distance) C4'-P energy: -36.348
bonds (distance) P-C4' energy: -38.350
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: 2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -147.623395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.623395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.623395 (E_RNA)
where:
Base-Base interactions energy: -54.946
where: short stacking energy: -43.992
Base-Backbone interact. energy: -0.166
local terms energy: -92.511097
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: 6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -569.956827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.956827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.956827 (E_RNA)
where:
Base-Base interactions energy: -395.184
where: short stacking energy: -162.058
Base-Backbone interact. energy: -2.305
local terms energy: -172.468718
where:
bonds (distance) C4'-P energy: -29.589
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -39.681
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -43.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -563.674195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.674195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.674195 (E_RNA)
where:
Base-Base interactions energy: -393.202
where: short stacking energy: -145.364
Base-Backbone interact. energy: 0.598
local terms energy: -171.070865
where:
bonds (distance) C4'-P energy: -36.357
bonds (distance) P-C4' energy: -33.535
flat angles C4'-P-C4' energy: -37.256
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -43.188
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: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -565.351273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.351273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.351273 (E_RNA)
where:
Base-Base interactions energy: -387.613
where: short stacking energy: -147.302
Base-Backbone interact. energy: -0.281
local terms energy: -179.297867
where:
bonds (distance) C4'-P energy: -37.911
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -37.791
flat angles P-C4'-P energy: -24.967
tors. eta vs tors. theta energy: -40.706
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: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -442.353436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.353436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.353436 (E_RNA)
where:
Base-Base interactions energy: -286.842
where: short stacking energy: -131.840
Base-Backbone interact. energy: -0.854
local terms energy: -154.657480
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -37.910
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -34.622
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: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -419.452596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.452596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.452596 (E_RNA)
where:
Base-Base interactions energy: -263.104
where: short stacking energy: -98.860
Base-Backbone interact. energy: -1.661
local terms energy: -154.687570
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -353.383614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.383614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.383614 (E_RNA)
where:
Base-Base interactions energy: -211.751
where: short stacking energy: -98.341
Base-Backbone interact. energy: -0.620
local terms energy: -141.012463
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -42.072
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -23.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -322.768014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.768014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.768014 (E_RNA)
where:
Base-Base interactions energy: -185.184
where: short stacking energy: -105.051
Base-Backbone interact. energy: -0.491
local terms energy: -137.092592
where:
bonds (distance) C4'-P energy: -31.317
bonds (distance) P-C4' energy: -37.010
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -311.709129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.709129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.709129 (E_RNA)
where:
Base-Base interactions energy: -186.347
where: short stacking energy: -83.663
Base-Backbone interact. energy: -0.878
local terms energy: -124.483688
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -28.337
flat angles C4'-P-C4' energy: -31.660
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -177.877086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.877086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.877086 (E_RNA)
where:
Base-Base interactions energy: -70.684
where: short stacking energy: -57.973
Base-Backbone interact. energy: -0.661
local terms energy: -108.006023
where:
bonds (distance) C4'-P energy: -35.686
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.474 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -155.920335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.920335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.920335 (E_RNA)
where:
Base-Base interactions energy: -56.170
where: short stacking energy: -41.757
Base-Backbone interact. energy: 1.614
local terms energy: -101.364390
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: 12.177
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: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -581.939221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.939221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.939221 (E_RNA)
where:
Base-Base interactions energy: -409.695
where: short stacking energy: -157.441
Base-Backbone interact. energy: -1.144
local terms energy: -171.100472
where:
bonds (distance) C4'-P energy: -32.950
bonds (distance) P-C4' energy: -40.967
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -42.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -570.126024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.126024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.126024 (E_RNA)
where:
Base-Base interactions energy: -392.818
where: short stacking energy: -163.247
Base-Backbone interact. energy: 0.626
local terms energy: -177.933650
where:
bonds (distance) C4'-P energy: -30.273
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -38.216
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -45.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -567.259378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.259378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.259378 (E_RNA)
where:
Base-Base interactions energy: -402.918
where: short stacking energy: -157.215
Base-Backbone interact. energy: 0.747
local terms energy: -165.512817
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -30.349
flat angles C4'-P-C4' energy: -40.635
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -42.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.425 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -446.507671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.507671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.507671 (E_RNA)
where:
Base-Base interactions energy: -297.691
where: short stacking energy: -122.919
Base-Backbone interact. energy: -2.672
local terms energy: -147.772954
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -39.138
flat angles C4'-P-C4' energy: -35.486
flat angles P-C4'-P energy: -23.677
tors. eta vs tors. theta energy: -27.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.628 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -392.499101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.499101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.499101 (E_RNA)
where:
Base-Base interactions energy: -246.689
where: short stacking energy: -107.254
Base-Backbone interact. energy: -2.849
local terms energy: -142.961180
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -333.712468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.712468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.712468 (E_RNA)
where:
Base-Base interactions energy: -201.248
where: short stacking energy: -104.337
Base-Backbone interact. energy: -0.477
local terms energy: -131.986731
where:
bonds (distance) C4'-P energy: -29.302
bonds (distance) P-C4' energy: -30.590
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -28.073
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: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -324.126312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.126312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.126312 (E_RNA)
where:
Base-Base interactions energy: -193.554
where: short stacking energy: -83.246
Base-Backbone interact. energy: -0.675
local terms energy: -129.897833
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -35.613
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -20.386
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: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -339.716275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.716275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.716275 (E_RNA)
where:
Base-Base interactions energy: -200.411
where: short stacking energy: -91.608
Base-Backbone interact. energy: -1.809
local terms energy: -137.496132
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -37.034
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -22.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -163.268102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.268102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.268102 (E_RNA)
where:
Base-Base interactions energy: -54.938
where: short stacking energy: -47.171
Base-Backbone interact. energy: -0.489
local terms energy: -108.972236
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -28.273
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -6.161
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: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -152.198609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.198609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.198609 (E_RNA)
where:
Base-Base interactions energy: -63.761
where: short stacking energy: -48.107
Base-Backbone interact. energy: 0.828
local terms energy: -89.265662
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: 3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -562.896625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.896625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.896625 (E_RNA)
where:
Base-Base interactions energy: -388.753
where: short stacking energy: -162.346
Base-Backbone interact. energy: -0.815
local terms energy: -173.327685
where:
bonds (distance) C4'-P energy: -34.139
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -41.998
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -43.606
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: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -568.312590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.312590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.312590 (E_RNA)
where:
Base-Base interactions energy: -392.594
where: short stacking energy: -152.810
Base-Backbone interact. energy: -0.255
local terms energy: -176.328555
where:
bonds (distance) C4'-P energy: -36.222
bonds (distance) P-C4' energy: -36.767
flat angles C4'-P-C4' energy: -33.229
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -43.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.865 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -577.927649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.927649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.927649 (E_RNA)
where:
Base-Base interactions energy: -397.764
where: short stacking energy: -152.039
Base-Backbone interact. energy: -1.784
local terms energy: -179.082032
where:
bonds (distance) C4'-P energy: -35.728
bonds (distance) P-C4' energy: -34.878
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -27.050
tors. eta vs tors. theta energy: -44.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.703 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -433.724627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.724627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.724627 (E_RNA)
where:
Base-Base interactions energy: -291.004
where: short stacking energy: -119.158
Base-Backbone interact. energy: -0.879
local terms energy: -141.841402
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -32.541
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -25.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -400.298979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.298979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.298979 (E_RNA)
where:
Base-Base interactions energy: -241.587
where: short stacking energy: -101.548
Base-Backbone interact. energy: -0.263
local terms energy: -158.448690
where:
bonds (distance) C4'-P energy: -36.281
bonds (distance) P-C4' energy: -37.802
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -20.644
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: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -324.072898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.072898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.072898 (E_RNA)
where:
Base-Base interactions energy: -190.882
where: short stacking energy: -88.725
Base-Backbone interact. energy: -1.202
local terms energy: -132.043692
where:
bonds (distance) C4'-P energy: -36.507
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.055 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -316.518179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.518179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.518179 (E_RNA)
where:
Base-Base interactions energy: -194.068
where: short stacking energy: -87.770
Base-Backbone interact. energy: -0.856
local terms energy: -121.594211
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -10.639
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: 263
Temperature: 1.250000
Total energy: -303.449686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.449686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.449686 (E_RNA)
where:
Base-Base interactions energy: -173.514
where: short stacking energy: -81.820
Base-Backbone interact. energy: -0.361
local terms energy: -129.574612
where:
bonds (distance) C4'-P energy: -28.940
bonds (distance) P-C4' energy: -34.272
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -192.435037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.435037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.435037 (E_RNA)
where:
Base-Base interactions energy: -84.967
where: short stacking energy: -47.124
Base-Backbone interact. energy: -0.104
local terms energy: -107.363607
where:
bonds (distance) C4'-P energy: -34.962
bonds (distance) P-C4' energy: -29.605
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: 3.555
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: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -177.086888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.086888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.086888 (E_RNA)
where:
Base-Base interactions energy: -71.722
where: short stacking energy: -61.188
Base-Backbone interact. energy: -0.516
local terms energy: -104.849167
where:
bonds (distance) C4'-P energy: -27.588
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -17.705
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: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -581.975054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.975054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.975054 (E_RNA)
where:
Base-Base interactions energy: -401.390
where: short stacking energy: -156.576
Base-Backbone interact. energy: -0.352
local terms energy: -181.849511
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -37.234
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: -46.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.616 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -561.527085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.527085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.527085 (E_RNA)
where:
Base-Base interactions energy: -394.494
where: short stacking energy: -174.089
Base-Backbone interact. energy: -0.604
local terms energy: -166.428939
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -34.615
flat angles C4'-P-C4' energy: -37.932
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -44.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -592.894539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.894539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.894539 (E_RNA)
where:
Base-Base interactions energy: -413.666
where: short stacking energy: -154.492
Base-Backbone interact. energy: -1.358
local terms energy: -177.870830
where:
bonds (distance) C4'-P energy: -38.549
bonds (distance) P-C4' energy: -35.957
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -40.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -448.895246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.895246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.895246 (E_RNA)
where:
Base-Base interactions energy: -292.758
where: short stacking energy: -129.922
Base-Backbone interact. energy: -0.381
local terms energy: -155.756483
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -33.242
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: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -418.468229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.468229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.468229 (E_RNA)
where:
Base-Base interactions energy: -271.132
where: short stacking energy: -121.304
Base-Backbone interact. energy: 0.635
local terms energy: -147.970542
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -37.368
flat angles C4'-P-C4' energy: -34.275
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -23.000
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: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -341.507572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.507572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.507572 (E_RNA)
where:
Base-Base interactions energy: -207.175
where: short stacking energy: -92.462
Base-Backbone interact. energy: -0.439
local terms energy: -133.893993
where:
bonds (distance) C4'-P energy: -34.710
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -34.999
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -6.251
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: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -301.600481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.600481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.600481 (E_RNA)
where:
Base-Base interactions energy: -181.077
where: short stacking energy: -71.658
Base-Backbone interact. energy: -0.253
local terms energy: -120.270128
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -28.161
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -327.528716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.528716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.528716 (E_RNA)
where:
Base-Base interactions energy: -188.949
where: short stacking energy: -93.509
Base-Backbone interact. energy: 0.052
local terms energy: -138.631393
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -37.337
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -18.792
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: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -169.001001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.001001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.001001 (E_RNA)
where:
Base-Base interactions energy: -46.270
where: short stacking energy: -40.190
Base-Backbone interact. energy: 0.176
local terms energy: -122.906563
where:
bonds (distance) C4'-P energy: -34.817
bonds (distance) P-C4' energy: -38.930
flat angles C4'-P-C4' energy: -29.090
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: 1.558
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: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -180.060837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.060837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.060837 (E_RNA)
where:
Base-Base interactions energy: -83.740
where: short stacking energy: -46.879
Base-Backbone interact. energy: -0.381
local terms energy: -95.939958
where:
bonds (distance) C4'-P energy: -27.158
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -26.754
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -1.686
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: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -582.965151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.965151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.965151 (E_RNA)
where:
Base-Base interactions energy: -400.290
where: short stacking energy: -161.121
Base-Backbone interact. energy: 1.873
local terms energy: -184.548383
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -39.683
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -26.445
tors. eta vs tors. theta energy: -45.865
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: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -584.867390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.867390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.867390 (E_RNA)
where:
Base-Base interactions energy: -415.575
where: short stacking energy: -155.620
Base-Backbone interact. energy: -0.414
local terms energy: -168.878018
where:
bonds (distance) C4'-P energy: -33.944
bonds (distance) P-C4' energy: -39.009
flat angles C4'-P-C4' energy: -36.401
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -35.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -531.539789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.539789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.539789 (E_RNA)
where:
Base-Base interactions energy: -361.462
where: short stacking energy: -141.024
Base-Backbone interact. energy: -0.311
local terms energy: -169.767034
where:
bonds (distance) C4'-P energy: -36.929
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -37.983
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -38.331
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: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -443.934800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.934800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.934800 (E_RNA)
where:
Base-Base interactions energy: -287.618
where: short stacking energy: -111.922
Base-Backbone interact. energy: -1.467
local terms energy: -154.849714
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -37.123
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -31.394
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: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -408.342132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.342132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.342132 (E_RNA)
where:
Base-Base interactions energy: -275.105
where: short stacking energy: -118.785
Base-Backbone interact. energy: -0.896
local terms energy: -132.340675
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -23.188
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -344.128527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.128527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.128527 (E_RNA)
where:
Base-Base interactions energy: -209.685
where: short stacking energy: -87.396
Base-Backbone interact. energy: 2.282
local terms energy: -136.725859
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -35.734
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -322.849763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.849763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.849763 (E_RNA)
where:
Base-Base interactions energy: -201.614
where: short stacking energy: -94.498
Base-Backbone interact. energy: 1.634
local terms energy: -122.870088
where:
bonds (distance) C4'-P energy: -30.872
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -17.617
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: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -301.687564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.687564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.687564 (E_RNA)
where:
Base-Base interactions energy: -172.458
where: short stacking energy: -78.789
Base-Backbone interact. energy: 0.162
local terms energy: -129.391960
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -15.297
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -229.879063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.879063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.879063 (E_RNA)
where:
Base-Base interactions energy: -113.850
where: short stacking energy: -57.907
Base-Backbone interact. energy: 1.114
local terms energy: -117.143161
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -38.921
flat angles C4'-P-C4' energy: -29.600
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -171.697193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.697193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.697193 (E_RNA)
where:
Base-Base interactions energy: -81.056
where: short stacking energy: -38.828
Base-Backbone interact. energy: 1.324
local terms energy: -91.964520
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: 8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -597.027728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.027728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.027728 (E_RNA)
where:
Base-Base interactions energy: -419.165
where: short stacking energy: -169.219
Base-Backbone interact. energy: -1.004
local terms energy: -176.859206
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -40.299
flat angles C4'-P-C4' energy: -33.257
flat angles P-C4'-P energy: -26.167
tors. eta vs tors. theta energy: -43.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -576.349104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.349104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.349104 (E_RNA)
where:
Base-Base interactions energy: -407.455
where: short stacking energy: -162.005
Base-Backbone interact. energy: -1.407
local terms energy: -167.486822
where:
bonds (distance) C4'-P energy: -40.148
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -33.642
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -39.033
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: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -495.580565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.580565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.580565 (E_RNA)
where:
Base-Base interactions energy: -338.147
where: short stacking energy: -130.088
Base-Backbone interact. energy: -0.338
local terms energy: -157.095600
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -35.673
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -35.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -435.454567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.454567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.454567 (E_RNA)
where:
Base-Base interactions energy: -287.321
where: short stacking energy: -120.652
Base-Backbone interact. energy: -0.642
local terms energy: -147.491286
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -34.112
flat angles C4'-P-C4' energy: -39.811
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -26.027
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: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -415.599196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.599196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.599196 (E_RNA)
where:
Base-Base interactions energy: -250.132
where: short stacking energy: -117.836
Base-Backbone interact. energy: 1.208
local terms energy: -166.675968
where:
bonds (distance) C4'-P energy: -37.472
bonds (distance) P-C4' energy: -31.840
flat angles C4'-P-C4' energy: -41.456
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -29.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -363.497625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.497625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.497625 (E_RNA)
where:
Base-Base interactions energy: -212.855
where: short stacking energy: -103.922
Base-Backbone interact. energy: -0.051
local terms energy: -151.070962
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -42.219
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -30.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.479 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -329.094939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.094939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.094939 (E_RNA)
where:
Base-Base interactions energy: -194.599
where: short stacking energy: -95.199
Base-Backbone interact. energy: -0.054
local terms energy: -135.082331
where:
bonds (distance) C4'-P energy: -34.994
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.640 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -309.852381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.852381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.852381 (E_RNA)
where:
Base-Base interactions energy: -194.709
where: short stacking energy: -85.807
Base-Backbone interact. energy: -1.138
local terms energy: -114.005499
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -37.013
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -6.287
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: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -237.141744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.141744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.141744 (E_RNA)
where:
Base-Base interactions energy: -116.874
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.563
local terms energy: -119.705576
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -162.025568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.025568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.025568 (E_RNA)
where:
Base-Base interactions energy: -60.937
where: short stacking energy: -48.408
Base-Backbone interact. energy: -0.687
local terms energy: -102.532878
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: 5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.131 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -591.721187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.721187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.721187 (E_RNA)
where:
Base-Base interactions energy: -406.803
where: short stacking energy: -159.191
Base-Backbone interact. energy: -0.478
local terms energy: -184.574444
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -39.932
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -36.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.134 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -557.406980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.406980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.406980 (E_RNA)
where:
Base-Base interactions energy: -384.399
where: short stacking energy: -145.038
Base-Backbone interact. energy: -2.564
local terms energy: -170.443692
where:
bonds (distance) C4'-P energy: -37.534
bonds (distance) P-C4' energy: -36.748
flat angles C4'-P-C4' energy: -35.773
flat angles P-C4'-P energy: -24.705
tors. eta vs tors. theta energy: -35.683
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: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -501.638410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.638410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.638410 (E_RNA)
where:
Base-Base interactions energy: -339.156
where: short stacking energy: -141.965
Base-Backbone interact. energy: -1.318
local terms energy: -161.164597
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -37.630
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -35.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -482.829928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.829928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.829928 (E_RNA)
where:
Base-Base interactions energy: -339.968
where: short stacking energy: -123.351
Base-Backbone interact. energy: -0.479
local terms energy: -142.382857
where:
bonds (distance) C4'-P energy: -34.346
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -35.415
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: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -417.252908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.252908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.252908 (E_RNA)
where:
Base-Base interactions energy: -271.648
where: short stacking energy: -113.870
Base-Backbone interact. energy: 0.656
local terms energy: -147.219997
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -39.830
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.960 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -383.977482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.977482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.977482 (E_RNA)
where:
Base-Base interactions energy: -246.363
where: short stacking energy: -106.257
Base-Backbone interact. energy: -0.319
local terms energy: -137.295622
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -320.351602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.351602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.351602 (E_RNA)
where:
Base-Base interactions energy: -198.401
where: short stacking energy: -92.540
Base-Backbone interact. energy: -0.120
local terms energy: -121.830906
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -30.156
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -312.609514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.609514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.609514 (E_RNA)
where:
Base-Base interactions energy: -182.553
where: short stacking energy: -89.127
Base-Backbone interact. energy: -0.410
local terms energy: -129.645635
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -30.877
flat angles C4'-P-C4' energy: -34.816
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -219.087773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.087773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.087773 (E_RNA)
where:
Base-Base interactions energy: -122.377
where: short stacking energy: -66.706
Base-Backbone interact. energy: 0.612
local terms energy: -101.318727
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -38.274
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.996 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -191.864684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.864684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.864684 (E_RNA)
where:
Base-Base interactions energy: -91.869
where: short stacking energy: -51.669
Base-Backbone interact. energy: 0.304
local terms energy: -101.812874
where:
bonds (distance) C4'-P energy: -31.877
bonds (distance) P-C4' energy: -26.416
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -10.517
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: 1.514 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -586.255178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.255178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.255178 (E_RNA)
where:
Base-Base interactions energy: -412.136
where: short stacking energy: -164.068
Base-Backbone interact. energy: -1.055
local terms energy: -173.063696
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -44.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -545.716125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.716125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.716125 (E_RNA)
where:
Base-Base interactions energy: -379.596
where: short stacking energy: -137.050
Base-Backbone interact. energy: -1.286
local terms energy: -164.833933
where:
bonds (distance) C4'-P energy: -38.456
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -26.894
tors. eta vs tors. theta energy: -35.983
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: 268
Temperature: 1.000000
Total energy: -520.197547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.197547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.197547 (E_RNA)
where:
Base-Base interactions energy: -349.426
where: short stacking energy: -156.019
Base-Backbone interact. energy: -0.353
local terms energy: -170.417775
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -44.049
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -43.766
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: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -461.251022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.251022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.251022 (E_RNA)
where:
Base-Base interactions energy: -303.959
where: short stacking energy: -114.522
Base-Backbone interact. energy: 0.371
local terms energy: -157.662746
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -34.725
flat angles C4'-P-C4' energy: -33.311
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -27.862
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: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -425.387955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.387955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.387955 (E_RNA)
where:
Base-Base interactions energy: -268.015
where: short stacking energy: -119.127
Base-Backbone interact. energy: 0.058
local terms energy: -157.431256
where:
bonds (distance) C4'-P energy: -35.989
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -25.257
tors. eta vs tors. theta energy: -28.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -364.446485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.446485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.446485 (E_RNA)
where:
Base-Base interactions energy: -227.131
where: short stacking energy: -99.903
Base-Backbone interact. energy: -0.128
local terms energy: -137.187660
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -31.366
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -23.192
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: 268
Temperature: 1.200000
Total energy: -320.528210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.528210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.528210 (E_RNA)
where:
Base-Base interactions energy: -177.756
where: short stacking energy: -78.118
Base-Backbone interact. energy: 1.322
local terms energy: -144.094850
where:
bonds (distance) C4'-P energy: -33.987
bonds (distance) P-C4' energy: -37.603
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -266.647814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.647814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.647814 (E_RNA)
where:
Base-Base interactions energy: -142.562
where: short stacking energy: -69.901
Base-Backbone interact. energy: 0.342
local terms energy: -124.428193
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -36.571
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -252.328619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.328619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.328619 (E_RNA)
where:
Base-Base interactions energy: -133.441
where: short stacking energy: -79.803
Base-Backbone interact. energy: -1.232
local terms energy: -117.656126
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -34.861
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -160.702010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.702010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.702010 (E_RNA)
where:
Base-Base interactions energy: -73.516
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.369
local terms energy: -91.422750
where:
bonds (distance) C4'-P energy: -32.756
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -26.228
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: 11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.606 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -599.240184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.240184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.240184 (E_RNA)
where:
Base-Base interactions energy: -420.056
where: short stacking energy: -160.334
Base-Backbone interact. energy: 0.779
local terms energy: -179.963147
where:
bonds (distance) C4'-P energy: -38.574
bonds (distance) P-C4' energy: -33.699
flat angles C4'-P-C4' energy: -38.754
flat angles P-C4'-P energy: -27.541
tors. eta vs tors. theta energy: -41.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -570.094668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.094668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.094668 (E_RNA)
where:
Base-Base interactions energy: -396.600
where: short stacking energy: -165.970
Base-Backbone interact. energy: -2.758
local terms energy: -170.735706
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -38.748
flat angles C4'-P-C4' energy: -34.398
flat angles P-C4'-P energy: -23.523
tors. eta vs tors. theta energy: -42.307
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -518.345695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.345695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.345695 (E_RNA)
where:
Base-Base interactions energy: -356.180
where: short stacking energy: -135.114
Base-Backbone interact. energy: -1.187
local terms energy: -161.212071
where:
bonds (distance) C4'-P energy: -31.449
bonds (distance) P-C4' energy: -34.035
flat angles C4'-P-C4' energy: -35.078
flat angles P-C4'-P energy: -29.096
tors. eta vs tors. theta energy: -31.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.234 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -470.019962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.019962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.019962 (E_RNA)
where:
Base-Base interactions energy: -296.399
where: short stacking energy: -108.812
Base-Backbone interact. energy: -0.669
local terms energy: -172.952000
where:
bonds (distance) C4'-P energy: -40.279
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -27.347
tors. eta vs tors. theta energy: -31.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -440.622906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.622906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.622906 (E_RNA)
where:
Base-Base interactions energy: -284.793
where: short stacking energy: -126.572
Base-Backbone interact. energy: -1.643
local terms energy: -154.187020
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -35.637
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -32.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -358.988479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.988479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.988479 (E_RNA)
where:
Base-Base interactions energy: -225.017
where: short stacking energy: -109.788
Base-Backbone interact. energy: -0.105
local terms energy: -133.866598
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -18.099
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -329.262010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.262010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.262010 (E_RNA)
where:
Base-Base interactions energy: -193.999
where: short stacking energy: -99.267
Base-Backbone interact. energy: -0.345
local terms energy: -134.918011
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -34.792
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -270.031844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.031844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.031844 (E_RNA)
where:
Base-Base interactions energy: -149.427
where: short stacking energy: -75.736
Base-Backbone interact. energy: -0.226
local terms energy: -120.379276
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -42.275
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -16.001
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: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -215.834350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.834350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.834350 (E_RNA)
where:
Base-Base interactions energy: -98.149
where: short stacking energy: -54.556
Base-Backbone interact. energy: -0.719
local terms energy: -116.966675
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -32.269
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -1.054
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: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -182.008908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.008908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.008908 (E_RNA)
where:
Base-Base interactions energy: -90.056
where: short stacking energy: -52.051
Base-Backbone interact. energy: 0.882
local terms energy: -92.834911
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: 3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -609.056539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.056539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.056539 (E_RNA)
where:
Base-Base interactions energy: -430.440
where: short stacking energy: -161.828
Base-Backbone interact. energy: 0.949
local terms energy: -179.566054
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -34.615
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -44.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -575.932705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.932705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.932705 (E_RNA)
where:
Base-Base interactions energy: -402.602
where: short stacking energy: -154.067
Base-Backbone interact. energy: 1.736
local terms energy: -175.278130
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -40.690
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -37.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.211 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -523.048081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.048081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.048081 (E_RNA)
where:
Base-Base interactions energy: -363.876
where: short stacking energy: -152.890
Base-Backbone interact. energy: -0.341
local terms energy: -160.013000
where:
bonds (distance) C4'-P energy: -35.921
bonds (distance) P-C4' energy: -29.930
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -34.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.182 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -466.180349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.180349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.180349 (E_RNA)
where:
Base-Base interactions energy: -306.204
where: short stacking energy: -116.191
Base-Backbone interact. energy: -1.544
local terms energy: -158.432694
where:
bonds (distance) C4'-P energy: -37.960
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -31.830
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -40.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -417.083689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.083689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.083689 (E_RNA)
where:
Base-Base interactions energy: -259.060
where: short stacking energy: -106.772
Base-Backbone interact. energy: -0.100
local terms energy: -157.923424
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -40.875
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -23.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -346.246211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.246211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.246211 (E_RNA)
where:
Base-Base interactions energy: -216.699
where: short stacking energy: -97.066
Base-Backbone interact. energy: 2.851
local terms energy: -132.398138
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -34.629
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -313.022120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.022120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.022120 (E_RNA)
where:
Base-Base interactions energy: -184.684
where: short stacking energy: -98.239
Base-Backbone interact. energy: 0.330
local terms energy: -128.667955
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -40.646
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -13.824
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: 270
Temperature: 1.250000
Total energy: -309.155189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.155189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.155189 (E_RNA)
where:
Base-Base interactions energy: -184.041
where: short stacking energy: -74.362
Base-Backbone interact. energy: -0.723
local terms energy: -124.391214
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -222.414882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.414882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.414882 (E_RNA)
where:
Base-Base interactions energy: -116.463
where: short stacking energy: -72.308
Base-Backbone interact. energy: -0.907
local terms energy: -105.044978
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -40.933
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: 0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -187.362475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.362475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.362475 (E_RNA)
where:
Base-Base interactions energy: -89.542
where: short stacking energy: -44.159
Base-Backbone interact. energy: -0.017
local terms energy: -97.803268
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -29.409
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: 4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -592.672464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.672464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.672464 (E_RNA)
where:
Base-Base interactions energy: -408.159
where: short stacking energy: -161.636
Base-Backbone interact. energy: -1.335
local terms energy: -184.367326
where:
bonds (distance) C4'-P energy: -38.358
bonds (distance) P-C4' energy: -38.840
flat angles C4'-P-C4' energy: -39.829
flat angles P-C4'-P energy: -22.447
tors. eta vs tors. theta energy: -44.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.189 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -584.256316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.256316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.256316 (E_RNA)
where:
Base-Base interactions energy: -407.182
where: short stacking energy: -150.201
Base-Backbone interact. energy: -1.967
local terms energy: -175.964858
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -45.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.857 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -509.646378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.646378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.646378 (E_RNA)
where:
Base-Base interactions energy: -356.476
where: short stacking energy: -144.821
Base-Backbone interact. energy: -0.565
local terms energy: -152.605615
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -28.382
tors. eta vs tors. theta energy: -32.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -465.774371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.774371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.774371 (E_RNA)
where:
Base-Base interactions energy: -307.117
where: short stacking energy: -122.478
Base-Backbone interact. energy: -1.492
local terms energy: -157.165055
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -37.990
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -33.053
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: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -450.620464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.620464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.620464 (E_RNA)
where:
Base-Base interactions energy: -297.101
where: short stacking energy: -127.138
Base-Backbone interact. energy: -2.253
local terms energy: -151.266591
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -32.191
flat angles C4'-P-C4' energy: -30.619
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -35.886
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: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -363.557477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.557477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.557477 (E_RNA)
where:
Base-Base interactions energy: -218.790
where: short stacking energy: -101.107
Base-Backbone interact. energy: 2.802
local terms energy: -147.682789
where:
bonds (distance) C4'-P energy: -32.663
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -36.417
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.113 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -326.093657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.093657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.093657 (E_RNA)
where:
Base-Base interactions energy: -196.133
where: short stacking energy: -104.329
Base-Backbone interact. energy: 2.289
local terms energy: -132.250049
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -36.240
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -240.638450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.638450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.638450 (E_RNA)
where:
Base-Base interactions energy: -122.064
where: short stacking energy: -70.974
Base-Backbone interact. energy: 2.306
local terms energy: -120.879975
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -290.478608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.478608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.478608 (E_RNA)
where:
Base-Base interactions energy: -167.748
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.980
local terms energy: -121.750506
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -40.956
flat angles C4'-P-C4' energy: -31.982
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -170.594820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.594820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.594820 (E_RNA)
where:
Base-Base interactions energy: -61.678
where: short stacking energy: -46.578
Base-Backbone interact. energy: 0.059
local terms energy: -108.975749
where:
bonds (distance) C4'-P energy: -25.370
bonds (distance) P-C4' energy: -39.024
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -4.869
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: 1, replica: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -592.936969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.936969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.936969 (E_RNA)
where:
Base-Base interactions energy: -415.099
where: short stacking energy: -156.224
Base-Backbone interact. energy: -0.879
local terms energy: -176.958949
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -39.181
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -43.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -554.825728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.825728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.825728 (E_RNA)
where:
Base-Base interactions energy: -379.350
where: short stacking energy: -152.493
Base-Backbone interact. energy: 0.127
local terms energy: -175.602529
where:
bonds (distance) C4'-P energy: -34.829
bonds (distance) P-C4' energy: -38.085
flat angles C4'-P-C4' energy: -39.416
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -37.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -508.039034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.039034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.039034 (E_RNA)
where:
Base-Base interactions energy: -339.320
where: short stacking energy: -138.956
Base-Backbone interact. energy: -0.509
local terms energy: -168.209932
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -38.774
flat angles C4'-P-C4' energy: -34.818
flat angles P-C4'-P energy: -26.074
tors. eta vs tors. theta energy: -34.413
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: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -459.542745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.542745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.542745 (E_RNA)
where:
Base-Base interactions energy: -312.041
where: short stacking energy: -126.036
Base-Backbone interact. energy: 1.756
local terms energy: -149.257403
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -30.255
flat angles C4'-P-C4' energy: -42.295
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -30.926
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: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -448.256106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.256106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.256106 (E_RNA)
where:
Base-Base interactions energy: -321.343
where: short stacking energy: -115.463
Base-Backbone interact. energy: -0.606
local terms energy: -126.306820
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -28.983
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -330.414739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.414739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.414739 (E_RNA)
where:
Base-Base interactions energy: -211.876
where: short stacking energy: -102.951
Base-Backbone interact. energy: -0.623
local terms energy: -117.915631
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -325.524193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.524193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.524193 (E_RNA)
where:
Base-Base interactions energy: -198.718
where: short stacking energy: -96.119
Base-Backbone interact. energy: -0.553
local terms energy: -128.083290
where:
bonds (distance) C4'-P energy: -30.218
bonds (distance) P-C4' energy: -32.244
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.830 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -220.869757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.869757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.869757 (E_RNA)
where:
Base-Base interactions energy: -114.728
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.809
local terms energy: -105.333154
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -39.600
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: 1.794
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: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -242.887420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.887420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.887420 (E_RNA)
where:
Base-Base interactions energy: -142.998
where: short stacking energy: -67.263
Base-Backbone interact. energy: 0.058
local terms energy: -99.947216
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -4.129
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: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -172.109773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.109773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.109773 (E_RNA)
where:
Base-Base interactions energy: -75.931
where: short stacking energy: -66.028
Base-Backbone interact. energy: -1.734
local terms energy: -94.444993
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -582.331253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.331253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.331253 (E_RNA)
where:
Base-Base interactions energy: -415.355
where: short stacking energy: -157.014
Base-Backbone interact. energy: 1.729
local terms energy: -168.705532
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -41.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -571.248589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.248589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.248589 (E_RNA)
where:
Base-Base interactions energy: -397.763
where: short stacking energy: -151.091
Base-Backbone interact. energy: -2.139
local terms energy: -173.000499
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -38.854
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -25.170
tors. eta vs tors. theta energy: -41.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.654 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -528.203111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.203111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.203111 (E_RNA)
where:
Base-Base interactions energy: -363.055
where: short stacking energy: -149.744
Base-Backbone interact. energy: 0.252
local terms energy: -165.400295
where:
bonds (distance) C4'-P energy: -35.814
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -453.111233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.111233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.111233 (E_RNA)
where:
Base-Base interactions energy: -309.970
where: short stacking energy: -136.319
Base-Backbone interact. energy: -2.137
local terms energy: -141.003638
where:
bonds (distance) C4'-P energy: -34.751
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -34.631
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -30.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -440.329845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.329845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.329845 (E_RNA)
where:
Base-Base interactions energy: -290.157
where: short stacking energy: -119.364
Base-Backbone interact. energy: -0.471
local terms energy: -149.881498
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -31.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.179 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -342.478268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.478268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.478268 (E_RNA)
where:
Base-Base interactions energy: -215.733
where: short stacking energy: -99.191
Base-Backbone interact. energy: 0.861
local terms energy: -129.828017
where:
bonds (distance) C4'-P energy: -34.080
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -12.839
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: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -310.666821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.666821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.666821 (E_RNA)
where:
Base-Base interactions energy: -183.340
where: short stacking energy: -78.586
Base-Backbone interact. energy: -0.545
local terms energy: -126.781482
where:
bonds (distance) C4'-P energy: -29.111
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -263.993081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.993081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.993081 (E_RNA)
where:
Base-Base interactions energy: -147.722
where: short stacking energy: -60.077
Base-Backbone interact. energy: -1.160
local terms energy: -115.111092
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -2.212
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -191.813716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.813716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.813716 (E_RNA)
where:
Base-Base interactions energy: -87.629
where: short stacking energy: -56.492
Base-Backbone interact. energy: -0.232
local terms energy: -103.952424
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -26.625
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -169.160795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.160795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.160795 (E_RNA)
where:
Base-Base interactions energy: -58.033
where: short stacking energy: -37.033
Base-Backbone interact. energy: -0.938
local terms energy: -110.189641
where:
bonds (distance) C4'-P energy: -31.306
bonds (distance) P-C4' energy: -38.120
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: 5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -583.658834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.658834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.658834 (E_RNA)
where:
Base-Base interactions energy: -408.908
where: short stacking energy: -151.410
Base-Backbone interact. energy: -0.572
local terms energy: -174.178420
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -40.023
flat angles P-C4'-P energy: -30.203
tors. eta vs tors. theta energy: -40.781
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: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -561.706435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.706435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.706435 (E_RNA)
where:
Base-Base interactions energy: -377.720
where: short stacking energy: -156.510
Base-Backbone interact. energy: -0.594
local terms energy: -184.120809
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -39.465
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -26.811
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: 0.728 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -486.987515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.987515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.987515 (E_RNA)
where:
Base-Base interactions energy: -322.890
where: short stacking energy: -131.727
Base-Backbone interact. energy: -1.464
local terms energy: -162.633378
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -33.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -495.841393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.841393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.841393 (E_RNA)
where:
Base-Base interactions energy: -339.587
where: short stacking energy: -146.181
Base-Backbone interact. energy: -0.433
local terms energy: -155.821113
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -40.383
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -29.735
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: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -444.266270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.266270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.266270 (E_RNA)
where:
Base-Base interactions energy: -296.156
where: short stacking energy: -115.643
Base-Backbone interact. energy: -0.968
local terms energy: -147.142367
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -37.816
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -347.350272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.350272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.350272 (E_RNA)
where:
Base-Base interactions energy: -211.969
where: short stacking energy: -96.755
Base-Backbone interact. energy: -0.398
local terms energy: -134.983284
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -16.827
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -363.236986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.236986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.236986 (E_RNA)
where:
Base-Base interactions energy: -221.193
where: short stacking energy: -93.288
Base-Backbone interact. energy: -0.781
local terms energy: -141.263545
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -256.438443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.438443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.438443 (E_RNA)
where:
Base-Base interactions energy: -138.473
where: short stacking energy: -84.229
Base-Backbone interact. energy: 0.435
local terms energy: -118.400422
where:
bonds (distance) C4'-P energy: -34.056
bonds (distance) P-C4' energy: -33.440
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -168.388857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.388857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.388857 (E_RNA)
where:
Base-Base interactions energy: -72.666
where: short stacking energy: -47.543
Base-Backbone interact. energy: 0.230
local terms energy: -95.952713
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -37.354
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -14.266
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: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -222.605441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.605441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.605441 (E_RNA)
where:
Base-Base interactions energy: -124.717
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.694
local terms energy: -97.194040
where:
bonds (distance) C4'-P energy: -27.696
bonds (distance) P-C4' energy: -27.138
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -14.429
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: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -594.794036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.794036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.794036 (E_RNA)
where:
Base-Base interactions energy: -405.764
where: short stacking energy: -157.728
Base-Backbone interact. energy: 0.689
local terms energy: -189.719193
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -43.351
flat angles C4'-P-C4' energy: -40.420
flat angles P-C4'-P energy: -27.957
tors. eta vs tors. theta energy: -42.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -570.589007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.589007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.589007 (E_RNA)
where:
Base-Base interactions energy: -401.094
where: short stacking energy: -169.003
Base-Backbone interact. energy: -0.388
local terms energy: -169.106934
where:
bonds (distance) C4'-P energy: -34.478
bonds (distance) P-C4' energy: -38.175
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -39.665
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: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -462.996772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.996772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.996772 (E_RNA)
where:
Base-Base interactions energy: -294.880
where: short stacking energy: -137.269
Base-Backbone interact. energy: 0.318
local terms energy: -168.435737
where:
bonds (distance) C4'-P energy: -34.483
bonds (distance) P-C4' energy: -37.862
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -25.514
tors. eta vs tors. theta energy: -33.227
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: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -495.389279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.389279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.389279 (E_RNA)
where:
Base-Base interactions energy: -343.926
where: short stacking energy: -136.639
Base-Backbone interact. energy: -0.780
local terms energy: -151.351039
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -34.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.667 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -431.390189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.390189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.390189 (E_RNA)
where:
Base-Base interactions energy: -286.412
where: short stacking energy: -99.818
Base-Backbone interact. energy: 0.690
local terms energy: -145.667782
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -22.308
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: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -348.382331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.382331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.382331 (E_RNA)
where:
Base-Base interactions energy: -212.897
where: short stacking energy: -104.516
Base-Backbone interact. energy: -0.068
local terms energy: -135.417297
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -340.911475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.911475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.911475 (E_RNA)
where:
Base-Base interactions energy: -207.106
where: short stacking energy: -94.243
Base-Backbone interact. energy: 0.325
local terms energy: -134.408290
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -22.356
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.278 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -239.245607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.245607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.245607 (E_RNA)
where:
Base-Base interactions energy: -108.138
where: short stacking energy: -63.849
Base-Backbone interact. energy: 0.100
local terms energy: -131.208446
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -210.404001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.404001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.404001 (E_RNA)
where:
Base-Base interactions energy: -94.007
where: short stacking energy: -52.875
Base-Backbone interact. energy: 0.942
local terms energy: -117.339158
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -3.299
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: 275
Temperature: 1.350000
Total energy: -220.601971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.601971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.601971 (E_RNA)
where:
Base-Base interactions energy: -112.382
where: short stacking energy: -56.748
Base-Backbone interact. energy: 0.392
local terms energy: -108.611756
where:
bonds (distance) C4'-P energy: -28.852
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -1.227
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: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -580.454049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.454049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.454049 (E_RNA)
where:
Base-Base interactions energy: -414.222
where: short stacking energy: -157.336
Base-Backbone interact. energy: -1.185
local terms energy: -165.245466
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -34.154
flat angles C4'-P-C4' energy: -38.188
flat angles P-C4'-P energy: -22.183
tors. eta vs tors. theta energy: -39.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.199 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -562.868002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.868002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.868002 (E_RNA)
where:
Base-Base interactions energy: -385.503
where: short stacking energy: -155.780
Base-Backbone interact. energy: -1.618
local terms energy: -175.746436
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -39.578
flat angles C4'-P-C4' energy: -36.038
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -42.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -504.739919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.739919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.739919 (E_RNA)
where:
Base-Base interactions energy: -347.360
where: short stacking energy: -130.014
Base-Backbone interact. energy: -0.648
local terms energy: -156.732074
where:
bonds (distance) C4'-P energy: -31.426
bonds (distance) P-C4' energy: -38.079
flat angles C4'-P-C4' energy: -35.544
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -33.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -449.578052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.578052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.578052 (E_RNA)
where:
Base-Base interactions energy: -290.123
where: short stacking energy: -124.669
Base-Backbone interact. energy: -1.176
local terms energy: -158.279179
where:
bonds (distance) C4'-P energy: -31.978
bonds (distance) P-C4' energy: -39.793
flat angles C4'-P-C4' energy: -43.432
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -23.769
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: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -429.118570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.118570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.118570 (E_RNA)
where:
Base-Base interactions energy: -291.630
where: short stacking energy: -118.347
Base-Backbone interact. energy: 3.142
local terms energy: -140.631246
where:
bonds (distance) C4'-P energy: -34.663
bonds (distance) P-C4' energy: -29.909
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -28.648
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -378.107563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.107563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.107563 (E_RNA)
where:
Base-Base interactions energy: -231.188
where: short stacking energy: -118.664
Base-Backbone interact. energy: 0.276
local terms energy: -147.420139
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -40.846
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.225 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -341.707396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.707396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.707396 (E_RNA)
where:
Base-Base interactions energy: -202.263
where: short stacking energy: -94.605
Base-Backbone interact. energy: -1.945
local terms energy: -137.499270
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -17.223
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: 276
Temperature: 1.250000
Total energy: -229.666202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.666202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.666202 (E_RNA)
where:
Base-Base interactions energy: -100.121
where: short stacking energy: -60.983
Base-Backbone interact. energy: -1.355
local terms energy: -128.190461
where:
bonds (distance) C4'-P energy: -32.553
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -37.361
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -223.536903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.536903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.536903 (E_RNA)
where:
Base-Base interactions energy: -118.520
where: short stacking energy: -82.422
Base-Backbone interact. energy: 0.068
local terms energy: -105.084936
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -6.026
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: 276
Temperature: 1.350000
Total energy: -155.034797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.034797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.034797 (E_RNA)
where:
Base-Base interactions energy: -49.146
where: short stacking energy: -39.410
Base-Backbone interact. energy: -0.500
local terms energy: -105.388840
where:
bonds (distance) C4'-P energy: -26.488
bonds (distance) P-C4' energy: -34.870
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -22.563
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: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -590.691524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.691524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.691524 (E_RNA)
where:
Base-Base interactions energy: -421.637
where: short stacking energy: -162.944
Base-Backbone interact. energy: 0.482
local terms energy: -169.535755
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -26.804
tors. eta vs tors. theta energy: -46.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -571.440375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.440375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.440375 (E_RNA)
where:
Base-Base interactions energy: -387.874
where: short stacking energy: -155.148
Base-Backbone interact. energy: 0.335
local terms energy: -183.901878
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -41.311
flat angles C4'-P-C4' energy: -38.503
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -39.086
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: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -511.261989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.261989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.261989 (E_RNA)
where:
Base-Base interactions energy: -347.366
where: short stacking energy: -146.415
Base-Backbone interact. energy: 1.831
local terms energy: -165.727720
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -37.829
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -32.791
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: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -418.139935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.139935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.139935 (E_RNA)
where:
Base-Base interactions energy: -283.354
where: short stacking energy: -117.858
Base-Backbone interact. energy: -0.242
local terms energy: -134.544017
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -40.505
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -12.613
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: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -455.053068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.053068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.053068 (E_RNA)
where:
Base-Base interactions energy: -310.610
where: short stacking energy: -116.877
Base-Backbone interact. energy: -0.677
local terms energy: -144.309790
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.543 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -349.178646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.178646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.178646 (E_RNA)
where:
Base-Base interactions energy: -212.628
where: short stacking energy: -99.681
Base-Backbone interact. energy: -0.144
local terms energy: -136.406171
where:
bonds (distance) C4'-P energy: -34.524
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -19.763
tors. eta vs tors. theta energy: -18.952
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: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -322.784644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.784644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.784644 (E_RNA)
where:
Base-Base interactions energy: -182.102
where: short stacking energy: -89.357
Base-Backbone interact. energy: -1.334
local terms energy: -139.348600
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -40.363
flat angles C4'-P-C4' energy: -28.538
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -280.828101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.828101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.828101 (E_RNA)
where:
Base-Base interactions energy: -157.720
where: short stacking energy: -83.697
Base-Backbone interact. energy: 1.225
local terms energy: -124.650705
where:
bonds (distance) C4'-P energy: -30.106
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.317 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -241.530079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.530079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.530079 (E_RNA)
where:
Base-Base interactions energy: -121.412
where: short stacking energy: -73.394
Base-Backbone interact. energy: 0.048
local terms energy: -120.166563
where:
bonds (distance) C4'-P energy: -31.782
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -163.356453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.356453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.356453 (E_RNA)
where:
Base-Base interactions energy: -44.215
where: short stacking energy: -37.134
Base-Backbone interact. energy: -1.685
local terms energy: -117.455921
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -35.632
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: 2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -581.902740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.902740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.902740 (E_RNA)
where:
Base-Base interactions energy: -400.969
where: short stacking energy: -156.864
Base-Backbone interact. energy: -0.932
local terms energy: -180.001640
where:
bonds (distance) C4'-P energy: -36.060
bonds (distance) P-C4' energy: -38.380
flat angles C4'-P-C4' energy: -34.650
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -47.468
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -575.794850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.794850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.794850 (E_RNA)
where:
Base-Base interactions energy: -405.238
where: short stacking energy: -165.669
Base-Backbone interact. energy: 1.336
local terms energy: -171.892872
where:
bonds (distance) C4'-P energy: -34.453
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -28.046
tors. eta vs tors. theta energy: -48.004
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: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -496.590117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.590117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.590117 (E_RNA)
where:
Base-Base interactions energy: -339.910
where: short stacking energy: -142.654
Base-Backbone interact. energy: -0.659
local terms energy: -156.020872
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -34.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -439.281173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.281173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.281173 (E_RNA)
where:
Base-Base interactions energy: -291.677
where: short stacking energy: -125.565
Base-Backbone interact. energy: -0.323
local terms energy: -147.281198
where:
bonds (distance) C4'-P energy: -34.713
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -26.899
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: 278
Temperature: 1.100000
Total energy: -435.895123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.895123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.895123 (E_RNA)
where:
Base-Base interactions energy: -293.598
where: short stacking energy: -107.637
Base-Backbone interact. energy: -1.636
local terms energy: -140.661137
where:
bonds (distance) C4'-P energy: -39.045
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -36.743
flat angles P-C4'-P energy: -25.626
tors. eta vs tors. theta energy: -8.477
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: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -331.116974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.116974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.116974 (E_RNA)
where:
Base-Base interactions energy: -201.069
where: short stacking energy: -99.057
Base-Backbone interact. energy: 1.220
local terms energy: -131.267967
where:
bonds (distance) C4'-P energy: -29.011
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -25.190
tors. eta vs tors. theta energy: -17.444
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: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -311.204522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.204522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.204522 (E_RNA)
where:
Base-Base interactions energy: -179.579
where: short stacking energy: -92.875
Base-Backbone interact. energy: 0.096
local terms energy: -131.722138
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -26.621
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -234.129272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.129272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.129272 (E_RNA)
where:
Base-Base interactions energy: -116.612
where: short stacking energy: -70.134
Base-Backbone interact. energy: 2.048
local terms energy: -119.564844
where:
bonds (distance) C4'-P energy: -29.274
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -207.038046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.038046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.038046 (E_RNA)
where:
Base-Base interactions energy: -100.597
where: short stacking energy: -59.903
Base-Backbone interact. energy: 0.306
local terms energy: -106.747509
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: 8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -227.507232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.507232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.507232 (E_RNA)
where:
Base-Base interactions energy: -112.208
where: short stacking energy: -58.161
Base-Backbone interact. energy: 1.569
local terms energy: -116.867757
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -42.025
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -587.500264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.500264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.500264 (E_RNA)
where:
Base-Base interactions energy: -406.698
where: short stacking energy: -156.062
Base-Backbone interact. energy: -1.090
local terms energy: -179.712776
where:
bonds (distance) C4'-P energy: -34.894
bonds (distance) P-C4' energy: -36.610
flat angles C4'-P-C4' energy: -38.417
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -572.566712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.566712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.566712 (E_RNA)
where:
Base-Base interactions energy: -397.762
where: short stacking energy: -159.874
Base-Backbone interact. energy: 0.528
local terms energy: -175.630852
where:
bonds (distance) C4'-P energy: -32.678
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -42.593
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -44.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.299 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -519.985707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.985707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.985707 (E_RNA)
where:
Base-Base interactions energy: -350.376
where: short stacking energy: -145.663
Base-Backbone interact. energy: -1.110
local terms energy: -168.499470
where:
bonds (distance) C4'-P energy: -27.771
bonds (distance) P-C4' energy: -38.032
flat angles C4'-P-C4' energy: -33.945
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: -42.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -474.879147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.879147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.879147 (E_RNA)
where:
Base-Base interactions energy: -343.743
where: short stacking energy: -123.897
Base-Backbone interact. energy: -1.468
local terms energy: -129.668485
where:
bonds (distance) C4'-P energy: -30.831
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -423.057901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.057901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.057901 (E_RNA)
where:
Base-Base interactions energy: -287.122
where: short stacking energy: -118.233
Base-Backbone interact. energy: 3.942
local terms energy: -139.877782
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -28.298
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -336.304115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.304115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.304115 (E_RNA)
where:
Base-Base interactions energy: -196.196
where: short stacking energy: -94.950
Base-Backbone interact. energy: -0.396
local terms energy: -139.712633
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -323.077884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.077884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.077884 (E_RNA)
where:
Base-Base interactions energy: -200.412
where: short stacking energy: -94.204
Base-Backbone interact. energy: 2.532
local terms energy: -125.197376
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -36.740
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -8.018
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: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -237.012480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.012480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.012480 (E_RNA)
where:
Base-Base interactions energy: -113.670
where: short stacking energy: -65.183
Base-Backbone interact. energy: 0.166
local terms energy: -123.508841
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -5.297
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: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -168.138706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.138706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.138706 (E_RNA)
where:
Base-Base interactions energy: -63.816
where: short stacking energy: -50.952
Base-Backbone interact. energy: 0.258
local terms energy: -104.649931
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -17.477
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: 0.069 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -234.933188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.933188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.933188 (E_RNA)
where:
Base-Base interactions energy: -105.586
where: short stacking energy: -50.166
Base-Backbone interact. energy: -1.539
local terms energy: -127.807732
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -581.743730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.743730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.743730 (E_RNA)
where:
Base-Base interactions energy: -404.807
where: short stacking energy: -153.839
Base-Backbone interact. energy: -0.924
local terms energy: -176.013053
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -36.577
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -40.822
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: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -557.851909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.851909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.851909 (E_RNA)
where:
Base-Base interactions energy: -382.896
where: short stacking energy: -151.070
Base-Backbone interact. energy: -2.054
local terms energy: -172.902330
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -38.765
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -39.812
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: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -497.214063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.214063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.214063 (E_RNA)
where:
Base-Base interactions energy: -341.713
where: short stacking energy: -126.712
Base-Backbone interact. energy: -0.648
local terms energy: -154.853146
where:
bonds (distance) C4'-P energy: -37.172
bonds (distance) P-C4' energy: -35.678
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -26.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -500.680954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.680954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.680954 (E_RNA)
where:
Base-Base interactions energy: -341.617
where: short stacking energy: -121.586
Base-Backbone interact. energy: 0.341
local terms energy: -159.405785
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -29.578
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: 280
Temperature: 1.100000
Total energy: -424.967883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.967883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.967883 (E_RNA)
where:
Base-Base interactions energy: -294.235
where: short stacking energy: -117.658
Base-Backbone interact. energy: 0.458
local terms energy: -131.191690
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -25.192
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: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -342.089268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.089268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.089268 (E_RNA)
where:
Base-Base interactions energy: -210.280
where: short stacking energy: -93.599
Base-Backbone interact. energy: -0.544
local terms energy: -131.265320
where:
bonds (distance) C4'-P energy: -36.283
bonds (distance) P-C4' energy: -30.578
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -349.655729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.655729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.655729 (E_RNA)
where:
Base-Base interactions energy: -210.195
where: short stacking energy: -103.282
Base-Backbone interact. energy: -1.961
local terms energy: -137.499539
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -22.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -257.128293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.128293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.128293 (E_RNA)
where:
Base-Base interactions energy: -130.625
where: short stacking energy: -79.881
Base-Backbone interact. energy: -0.612
local terms energy: -125.891507
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -34.746
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -242.811180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.811180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.811180 (E_RNA)
where:
Base-Base interactions energy: -127.324
where: short stacking energy: -81.318
Base-Backbone interact. energy: -0.018
local terms energy: -115.538698
where:
bonds (distance) C4'-P energy: -28.264
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.069 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -158.236245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.236245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.236245 (E_RNA)
where:
Base-Base interactions energy: -65.386
where: short stacking energy: -56.406
Base-Backbone interact. energy: -0.190
local terms energy: -93.221237
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -35.466
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: 9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.561 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -586.724965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.724965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.724965 (E_RNA)
where:
Base-Base interactions energy: -403.305
where: short stacking energy: -154.516
Base-Backbone interact. energy: -1.107
local terms energy: -182.942104
where:
bonds (distance) C4'-P energy: -35.758
bonds (distance) P-C4' energy: -40.892
flat angles C4'-P-C4' energy: -37.708
flat angles P-C4'-P energy: -20.550
tors. eta vs tors. theta energy: -48.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.629 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -517.091221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.091221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.091221 (E_RNA)
where:
Base-Base interactions energy: -362.793
where: short stacking energy: -142.016
Base-Backbone interact. energy: -0.904
local terms energy: -153.393571
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -33.695
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: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -545.412397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.412397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.412397 (E_RNA)
where:
Base-Base interactions energy: -379.629
where: short stacking energy: -156.128
Base-Backbone interact. energy: -1.081
local terms energy: -164.702075
where:
bonds (distance) C4'-P energy: -27.950
bonds (distance) P-C4' energy: -34.451
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -44.261
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: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -522.366503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.366503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.366503 (E_RNA)
where:
Base-Base interactions energy: -353.484
where: short stacking energy: -130.961
Base-Backbone interact. energy: -0.753
local terms energy: -168.129242
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -41.137
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: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -456.454959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.454959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.454959 (E_RNA)
where:
Base-Base interactions energy: -303.796
where: short stacking energy: -130.218
Base-Backbone interact. energy: -0.546
local terms energy: -152.112873
where:
bonds (distance) C4'-P energy: -30.305
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -33.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -382.108574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.108574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.108574 (E_RNA)
where:
Base-Base interactions energy: -233.364
where: short stacking energy: -103.924
Base-Backbone interact. energy: 0.562
local terms energy: -149.306828
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -317.904192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.904192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.904192 (E_RNA)
where:
Base-Base interactions energy: -192.363
where: short stacking energy: -84.402
Base-Backbone interact. energy: -0.446
local terms energy: -125.095572
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -258.316758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.316758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.316758 (E_RNA)
where:
Base-Base interactions energy: -133.499
where: short stacking energy: -91.145
Base-Backbone interact. energy: -0.415
local terms energy: -124.403272
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -7.769
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: 281
Temperature: 1.300000
Total energy: -238.925851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.925851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.925851 (E_RNA)
where:
Base-Base interactions energy: -140.495
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.848
local terms energy: -97.582165
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -4.440
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: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -174.939967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.939967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.939967 (E_RNA)
where:
Base-Base interactions energy: -76.435
where: short stacking energy: -47.165
Base-Backbone interact. energy: 1.757
local terms energy: -100.262198
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -32.312
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -599.561219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.561219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.561219 (E_RNA)
where:
Base-Base interactions energy: -412.091
where: short stacking energy: -163.397
Base-Backbone interact. energy: -0.418
local terms energy: -187.756890
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -43.658
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -46.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.705 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -517.972970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.972970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.972970 (E_RNA)
where:
Base-Base interactions energy: -366.871
where: short stacking energy: -132.635
Base-Backbone interact. energy: -0.254
local terms energy: -150.847530
where:
bonds (distance) C4'-P energy: -34.230
bonds (distance) P-C4' energy: -37.784
flat angles C4'-P-C4' energy: -32.985
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -32.907
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: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -546.024196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.024196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.024196 (E_RNA)
where:
Base-Base interactions energy: -362.172
where: short stacking energy: -150.880
Base-Backbone interact. energy: -0.595
local terms energy: -183.258021
where:
bonds (distance) C4'-P energy: -36.987
bonds (distance) P-C4' energy: -37.341
flat angles C4'-P-C4' energy: -37.952
flat angles P-C4'-P energy: -29.915
tors. eta vs tors. theta energy: -41.063
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: 282
Temperature: 1.050000
Total energy: -547.429093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.429093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.429093 (E_RNA)
where:
Base-Base interactions energy: -381.286
where: short stacking energy: -143.907
Base-Backbone interact. energy: -0.787
local terms energy: -165.356309
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -35.604
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -44.687
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: 282
Temperature: 1.100000
Total energy: -430.386385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.386385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.386385 (E_RNA)
where:
Base-Base interactions energy: -273.901
where: short stacking energy: -98.702
Base-Backbone interact. energy: -0.466
local terms energy: -156.019041
where:
bonds (distance) C4'-P energy: -32.207
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: -25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -334.714297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.714297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.714297 (E_RNA)
where:
Base-Base interactions energy: -207.781
where: short stacking energy: -95.368
Base-Backbone interact. energy: -0.507
local terms energy: -126.426057
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -32.705
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -12.427
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: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -261.928234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.928234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.928234 (E_RNA)
where:
Base-Base interactions energy: -127.117
where: short stacking energy: -81.067
Base-Backbone interact. energy: -0.405
local terms energy: -134.405868
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -39.335
flat angles C4'-P-C4' energy: -25.517
flat angles P-C4'-P energy: -28.913
tors. eta vs tors. theta energy: -14.587
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: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -298.634341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.634341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.634341 (E_RNA)
where:
Base-Base interactions energy: -174.572
where: short stacking energy: -71.185
Base-Backbone interact. energy: -0.213
local terms energy: -123.849025
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -36.143
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -7.972
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: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -225.923545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.923545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.923545 (E_RNA)
where:
Base-Base interactions energy: -114.151
where: short stacking energy: -52.231
Base-Backbone interact. energy: -1.476
local terms energy: -110.296846
where:
bonds (distance) C4'-P energy: -38.963
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: 11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -168.511940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.511940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.511940 (E_RNA)
where:
Base-Base interactions energy: -84.712
where: short stacking energy: -37.171
Base-Backbone interact. energy: -0.476
local terms energy: -83.324371
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: 7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -588.147716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.147716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.147716 (E_RNA)
where:
Base-Base interactions energy: -410.820
where: short stacking energy: -152.650
Base-Backbone interact. energy: -0.662
local terms energy: -176.666492
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -33.475
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -45.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -513.806658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.806658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.806658 (E_RNA)
where:
Base-Base interactions energy: -354.011
where: short stacking energy: -134.639
Base-Backbone interact. energy: -1.043
local terms energy: -158.752413
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -36.854
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -33.033
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: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -539.716163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.716163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.716163 (E_RNA)
where:
Base-Base interactions energy: -368.644
where: short stacking energy: -149.154
Base-Backbone interact. energy: -1.033
local terms energy: -170.039014
where:
bonds (distance) C4'-P energy: -30.066
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -40.105
flat angles P-C4'-P energy: -22.035
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: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -543.772138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.772138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.772138 (E_RNA)
where:
Base-Base interactions energy: -380.740
where: short stacking energy: -133.483
Base-Backbone interact. energy: -0.758
local terms energy: -162.274166
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -32.636
flat angles P-C4'-P energy: -27.717
tors. eta vs tors. theta energy: -41.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -438.286344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.286344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.286344 (E_RNA)
where:
Base-Base interactions energy: -287.314
where: short stacking energy: -114.326
Base-Backbone interact. energy: 0.282
local terms energy: -151.617637
where:
bonds (distance) C4'-P energy: -33.779
bonds (distance) P-C4' energy: -29.371
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -30.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.363 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -362.814378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.814378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.814378 (E_RNA)
where:
Base-Base interactions energy: -217.559
where: short stacking energy: -103.911
Base-Backbone interact. energy: -1.069
local terms energy: -144.186101
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -34.287
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -22.052
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: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -255.152166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.152166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.152166 (E_RNA)
where:
Base-Base interactions energy: -144.910
where: short stacking energy: -76.484
Base-Backbone interact. energy: -1.128
local terms energy: -109.114565
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -6.354
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -299.281322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.281322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.281322 (E_RNA)
where:
Base-Base interactions energy: -170.458
where: short stacking energy: -80.103
Base-Backbone interact. energy: -1.401
local terms energy: -127.422445
where:
bonds (distance) C4'-P energy: -34.318
bonds (distance) P-C4' energy: -34.972
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -8.340
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: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -239.679324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.679324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.679324 (E_RNA)
where:
Base-Base interactions energy: -121.757
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.326
local terms energy: -117.596247
where:
bonds (distance) C4'-P energy: -31.916
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: 1.187
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: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -160.148876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.148876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.148876 (E_RNA)
where:
Base-Base interactions energy: -55.067
where: short stacking energy: -55.067
Base-Backbone interact. energy: -0.891
local terms energy: -104.240853
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -29.748
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.050 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -590.251219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.251219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.251219 (E_RNA)
where:
Base-Base interactions energy: -419.074
where: short stacking energy: -161.047
Base-Backbone interact. energy: -0.707
local terms energy: -172.915792
where:
bonds (distance) C4'-P energy: -38.393
bonds (distance) P-C4' energy: -33.158
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -44.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.446 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -532.323057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.323057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.323057 (E_RNA)
where:
Base-Base interactions energy: -371.232
where: short stacking energy: -134.721
Base-Backbone interact. energy: -1.440
local terms energy: -159.650201
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -38.686
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -28.803
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: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -537.267488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.267488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.267488 (E_RNA)
where:
Base-Base interactions energy: -369.318
where: short stacking energy: -143.181
Base-Backbone interact. energy: -1.000
local terms energy: -167.622339
where:
bonds (distance) C4'-P energy: -40.377
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -40.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.673 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -511.666837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.666837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.666837 (E_RNA)
where:
Base-Base interactions energy: -352.967
where: short stacking energy: -138.304
Base-Backbone interact. energy: -0.751
local terms energy: -157.949119
where:
bonds (distance) C4'-P energy: -34.185
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -28.224
tors. eta vs tors. theta energy: -35.081
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: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -432.499193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.499193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.499193 (E_RNA)
where:
Base-Base interactions energy: -283.926
where: short stacking energy: -120.412
Base-Backbone interact. energy: -1.446
local terms energy: -149.960887
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -35.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.834 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -359.530671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.530671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.530671 (E_RNA)
where:
Base-Base interactions energy: -206.854
where: short stacking energy: -106.372
Base-Backbone interact. energy: -0.196
local terms energy: -152.480257
where:
bonds (distance) C4'-P energy: -31.881
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -26.175
tors. eta vs tors. theta energy: -24.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -308.533887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.533887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.533887 (E_RNA)
where:
Base-Base interactions energy: -191.257
where: short stacking energy: -92.118
Base-Backbone interact. energy: -1.434
local terms energy: -115.843039
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -10.566
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: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -234.640758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.640758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.640758 (E_RNA)
where:
Base-Base interactions energy: -123.815
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.375
local terms energy: -110.450785
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -5.962
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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -222.010125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.010125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.010125 (E_RNA)
where:
Base-Base interactions energy: -114.365
where: short stacking energy: -58.115
Base-Backbone interact. energy: 0.675
local terms energy: -112.339222
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -32.932
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.019 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -167.257514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.257514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.257514 (E_RNA)
where:
Base-Base interactions energy: -69.415
where: short stacking energy: -42.003
Base-Backbone interact. energy: -0.880
local terms energy: -96.962997
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -32.541
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: 3.150
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: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -596.072006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.072006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.072006 (E_RNA)
where:
Base-Base interactions energy: -419.342
where: short stacking energy: -170.686
Base-Backbone interact. energy: -1.384
local terms energy: -175.345184
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -37.490
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -43.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -548.971441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.971441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.971441 (E_RNA)
where:
Base-Base interactions energy: -378.323
where: short stacking energy: -142.396
Base-Backbone interact. energy: -0.916
local terms energy: -169.853847
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -41.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.121 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -512.958733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.958733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.958733 (E_RNA)
where:
Base-Base interactions energy: -355.784
where: short stacking energy: -135.981
Base-Backbone interact. energy: -2.375
local terms energy: -154.800506
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -39.818
flat angles C4'-P-C4' energy: -33.840
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -30.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -539.580503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.580503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.580503 (E_RNA)
where:
Base-Base interactions energy: -381.573
where: short stacking energy: -145.077
Base-Backbone interact. energy: -1.145
local terms energy: -156.862575
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -35.367
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -42.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -430.953040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.953040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.953040 (E_RNA)
where:
Base-Base interactions energy: -301.252
where: short stacking energy: -117.228
Base-Backbone interact. energy: 0.382
local terms energy: -130.083448
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -31.398
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -24.486
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: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -351.613845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.613845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.613845 (E_RNA)
where:
Base-Base interactions energy: -206.148
where: short stacking energy: -103.234
Base-Backbone interact. energy: -2.692
local terms energy: -142.773643
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -33.578
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -23.890
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: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -332.508558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.508558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.508558 (E_RNA)
where:
Base-Base interactions energy: -207.315
where: short stacking energy: -93.992
Base-Backbone interact. energy: -1.024
local terms energy: -124.169985
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -35.708
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -233.455000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.455000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.455000 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -70.581
Base-Backbone interact. energy: -0.806
local terms energy: -113.093772
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -9.181
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: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -226.787431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.787431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.787431 (E_RNA)
where:
Base-Base interactions energy: -124.436
where: short stacking energy: -65.984
Base-Backbone interact. energy: 0.274
local terms energy: -103.274308
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.649 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -159.538689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.538689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.538689 (E_RNA)
where:
Base-Base interactions energy: -46.464
where: short stacking energy: -32.404
Base-Backbone interact. energy: -0.827
local terms energy: -112.247578
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -42.328
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: 5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -605.354271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.354271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.354271 (E_RNA)
where:
Base-Base interactions energy: -429.449
where: short stacking energy: -161.269
Base-Backbone interact. energy: -1.205
local terms energy: -175.509018
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -41.087
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -42.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.809 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -563.944985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.944985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.944985 (E_RNA)
where:
Base-Base interactions energy: -392.344
where: short stacking energy: -148.538
Base-Backbone interact. energy: 3.429
local terms energy: -176.477506
where:
bonds (distance) C4'-P energy: -41.381
bonds (distance) P-C4' energy: -34.835
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -41.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.448 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -530.304778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.304778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.304778 (E_RNA)
where:
Base-Base interactions energy: -350.838
where: short stacking energy: -142.044
Base-Backbone interact. energy: -0.787
local terms energy: -178.679814
where:
bonds (distance) C4'-P energy: -32.836
bonds (distance) P-C4' energy: -39.530
flat angles C4'-P-C4' energy: -39.957
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -40.678
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: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -495.519320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.519320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.519320 (E_RNA)
where:
Base-Base interactions energy: -344.874
where: short stacking energy: -127.067
Base-Backbone interact. energy: -1.983
local terms energy: -148.662043
where:
bonds (distance) C4'-P energy: -26.262
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -29.970
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: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -449.542201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.542201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.542201 (E_RNA)
where:
Base-Base interactions energy: -283.103
where: short stacking energy: -121.913
Base-Backbone interact. energy: -0.934
local terms energy: -165.504606
where:
bonds (distance) C4'-P energy: -35.497
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -38.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -359.013329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.013329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.013329 (E_RNA)
where:
Base-Base interactions energy: -217.806
where: short stacking energy: -112.709
Base-Backbone interact. energy: 2.878
local terms energy: -144.084649
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -32.286
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -29.146
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: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -349.141570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.141570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.141570 (E_RNA)
where:
Base-Base interactions energy: -198.709
where: short stacking energy: -97.781
Base-Backbone interact. energy: -0.714
local terms energy: -149.718361
where:
bonds (distance) C4'-P energy: -39.526
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -30.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -245.118445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.118445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.118445 (E_RNA)
where:
Base-Base interactions energy: -110.635
where: short stacking energy: -61.036
Base-Backbone interact. energy: -0.416
local terms energy: -134.066573
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -37.484
flat angles C4'-P-C4' energy: -34.420
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -261.835422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.835422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.835422 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -77.287
Base-Backbone interact. energy: -0.063
local terms energy: -122.177752
where:
bonds (distance) C4'-P energy: -37.930
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -153.993871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.993871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.993871 (E_RNA)
where:
Base-Base interactions energy: -54.872
where: short stacking energy: -51.123
Base-Backbone interact. energy: -1.095
local terms energy: -98.026999
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -33.520
flat angles C4'-P-C4' energy: -30.363
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: 7.333
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: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -600.054387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.054387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.054387 (E_RNA)
where:
Base-Base interactions energy: -415.803
where: short stacking energy: -170.345
Base-Backbone interact. energy: -1.643
local terms energy: -182.609041
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -33.255
flat angles C4'-P-C4' energy: -39.338
flat angles P-C4'-P energy: -26.289
tors. eta vs tors. theta energy: -49.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -565.451178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.451178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.451178 (E_RNA)
where:
Base-Base interactions energy: -384.985
where: short stacking energy: -144.360
Base-Backbone interact. energy: -1.158
local terms energy: -179.307820
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -33.385
flat angles C4'-P-C4' energy: -38.840
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -42.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -551.816766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.816766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.816766 (E_RNA)
where:
Base-Base interactions energy: -371.699
where: short stacking energy: -156.785
Base-Backbone interact. energy: -0.929
local terms energy: -179.188090
where:
bonds (distance) C4'-P energy: -34.467
bonds (distance) P-C4' energy: -39.382
flat angles C4'-P-C4' energy: -38.065
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -44.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -471.218042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.218042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.218042 (E_RNA)
where:
Base-Base interactions energy: -316.340
where: short stacking energy: -127.219
Base-Backbone interact. energy: -1.755
local terms energy: -153.122758
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -29.081
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -30.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -448.920846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.920846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.920846 (E_RNA)
where:
Base-Base interactions energy: -298.315
where: short stacking energy: -123.641
Base-Backbone interact. energy: 0.499
local terms energy: -151.104834
where:
bonds (distance) C4'-P energy: -32.465
bonds (distance) P-C4' energy: -35.107
flat angles C4'-P-C4' energy: -30.961
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -31.943
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: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -361.762358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.762358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.762358 (E_RNA)
where:
Base-Base interactions energy: -227.405
where: short stacking energy: -107.816
Base-Backbone interact. energy: -0.550
local terms energy: -133.807608
where:
bonds (distance) C4'-P energy: -27.871
bonds (distance) P-C4' energy: -37.733
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -23.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -362.752116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.752116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.752116 (E_RNA)
where:
Base-Base interactions energy: -229.317
where: short stacking energy: -107.561
Base-Backbone interact. energy: -0.173
local terms energy: -133.261732
where:
bonds (distance) C4'-P energy: -29.903
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -31.630
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -20.618
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: 287
Temperature: 1.250000
Total energy: -247.066367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.066367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.066367 (E_RNA)
where:
Base-Base interactions energy: -127.390
where: short stacking energy: -71.901
Base-Backbone interact. energy: -0.173
local terms energy: -119.502870
where:
bonds (distance) C4'-P energy: -31.653
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -5.383
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: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -226.140073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.140073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.140073 (E_RNA)
where:
Base-Base interactions energy: -109.227
where: short stacking energy: -60.835
Base-Backbone interact. energy: 4.184
local terms energy: -121.097034
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: 2.528
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: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -152.351386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.351386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.351386 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -38.675
Base-Backbone interact. energy: 1.563
local terms energy: -106.270527
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: 2.455
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: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -593.049715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.049715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.049715 (E_RNA)
where:
Base-Base interactions energy: -418.022
where: short stacking energy: -173.072
Base-Backbone interact. energy: -1.668
local terms energy: -173.608174
where:
bonds (distance) C4'-P energy: -34.385
bonds (distance) P-C4' energy: -35.779
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -46.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.248 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -556.625490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.625490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.625490 (E_RNA)
where:
Base-Base interactions energy: -371.753
where: short stacking energy: -150.505
Base-Backbone interact. energy: -0.468
local terms energy: -184.404885
where:
bonds (distance) C4'-P energy: -38.242
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -43.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -551.287092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.287092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.287092 (E_RNA)
where:
Base-Base interactions energy: -377.820
where: short stacking energy: -144.860
Base-Backbone interact. energy: -0.223
local terms energy: -173.243815
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -40.171
flat angles C4'-P-C4' energy: -38.286
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: -39.612
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: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -484.751992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.751992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.751992 (E_RNA)
where:
Base-Base interactions energy: -339.729
where: short stacking energy: -133.004
Base-Backbone interact. energy: -0.678
local terms energy: -144.345080
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -33.701
flat angles C4'-P-C4' energy: -29.585
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -34.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -446.135643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.135643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.135643 (E_RNA)
where:
Base-Base interactions energy: -300.885
where: short stacking energy: -124.464
Base-Backbone interact. energy: -2.166
local terms energy: -143.083802
where:
bonds (distance) C4'-P energy: -34.230
bonds (distance) P-C4' energy: -29.590
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -29.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -356.978797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.978797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.978797 (E_RNA)
where:
Base-Base interactions energy: -224.564
where: short stacking energy: -83.238
Base-Backbone interact. energy: -2.308
local terms energy: -130.106519
where:
bonds (distance) C4'-P energy: -28.206
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -9.729
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: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -339.354362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.354362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.354362 (E_RNA)
where:
Base-Base interactions energy: -205.577
where: short stacking energy: -98.099
Base-Backbone interact. energy: -2.156
local terms energy: -131.621371
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -236.389769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.389769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.389769 (E_RNA)
where:
Base-Base interactions energy: -123.161
where: short stacking energy: -64.129
Base-Backbone interact. energy: -1.325
local terms energy: -114.401373
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.498 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -182.317592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.317592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.317592 (E_RNA)
where:
Base-Base interactions energy: -65.007
where: short stacking energy: -44.871
Base-Backbone interact. energy: -1.641
local terms energy: -115.670096
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -30.507
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -225.503013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.503013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.503013 (E_RNA)
where:
Base-Base interactions energy: -129.298
where: short stacking energy: -50.698
Base-Backbone interact. energy: 1.204
local terms energy: -97.408926
where:
bonds (distance) C4'-P energy: -27.540
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: 1.589
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: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -599.551342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.551342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.551342 (E_RNA)
where:
Base-Base interactions energy: -412.665
where: short stacking energy: -166.988
Base-Backbone interact. energy: -1.363
local terms energy: -185.791881
where:
bonds (distance) C4'-P energy: -35.512
bonds (distance) P-C4' energy: -32.023
flat angles C4'-P-C4' energy: -41.255
flat angles P-C4'-P energy: -29.261
tors. eta vs tors. theta energy: -47.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.269 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -559.967082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.967082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.967082 (E_RNA)
where:
Base-Base interactions energy: -387.084
where: short stacking energy: -158.151
Base-Backbone interact. energy: -0.770
local terms energy: -172.112409
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -39.323
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: -41.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -552.769037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.769037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.769037 (E_RNA)
where:
Base-Base interactions energy: -375.614
where: short stacking energy: -148.833
Base-Backbone interact. energy: -1.774
local terms energy: -175.380978
where:
bonds (distance) C4'-P energy: -38.472
bonds (distance) P-C4' energy: -33.406
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -45.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -486.336990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.336990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.336990 (E_RNA)
where:
Base-Base interactions energy: -323.648
where: short stacking energy: -118.494
Base-Backbone interact. energy: -2.067
local terms energy: -160.621735
where:
bonds (distance) C4'-P energy: -28.852
bonds (distance) P-C4' energy: -38.891
flat angles C4'-P-C4' energy: -37.649
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -32.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -449.708386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.708386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.708386 (E_RNA)
where:
Base-Base interactions energy: -317.331
where: short stacking energy: -116.171
Base-Backbone interact. energy: -1.635
local terms energy: -130.741672
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -29.662
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: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -369.457149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.457149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.457149 (E_RNA)
where:
Base-Base interactions energy: -217.356
where: short stacking energy: -102.611
Base-Backbone interact. energy: 0.626
local terms energy: -152.727443
where:
bonds (distance) C4'-P energy: -37.056
bonds (distance) P-C4' energy: -35.114
flat angles C4'-P-C4' energy: -33.723
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -25.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -336.346336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.346336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.346336 (E_RNA)
where:
Base-Base interactions energy: -215.795
where: short stacking energy: -93.448
Base-Backbone interact. energy: 0.906
local terms energy: -121.457140
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -35.913
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -13.888
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: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -236.956908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.956908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.956908 (E_RNA)
where:
Base-Base interactions energy: -123.727
where: short stacking energy: -79.706
Base-Backbone interact. energy: 0.217
local terms energy: -113.446719
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -196.384812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.384812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.384812 (E_RNA)
where:
Base-Base interactions energy: -96.276
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.562
local terms energy: -99.547143
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -210.943650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.943650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.943650 (E_RNA)
where:
Base-Base interactions energy: -119.261
where: short stacking energy: -66.884
Base-Backbone interact. energy: 2.357
local terms energy: -94.039629
where:
bonds (distance) C4'-P energy: -31.697
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -593.302987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.302987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.302987 (E_RNA)
where:
Base-Base interactions energy: -421.535
where: short stacking energy: -169.783
Base-Backbone interact. energy: 0.614
local terms energy: -172.381711
where:
bonds (distance) C4'-P energy: -30.734
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -44.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -576.748990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.748990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.748990 (E_RNA)
where:
Base-Base interactions energy: -398.008
where: short stacking energy: -154.034
Base-Backbone interact. energy: -0.306
local terms energy: -178.435388
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -38.077
flat angles C4'-P-C4' energy: -37.129
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -43.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -545.214330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.214330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.214330 (E_RNA)
where:
Base-Base interactions energy: -373.452
where: short stacking energy: -151.832
Base-Backbone interact. energy: -0.945
local terms energy: -170.817935
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -36.259
flat angles C4'-P-C4' energy: -35.732
flat angles P-C4'-P energy: -24.722
tors. eta vs tors. theta energy: -40.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -480.104340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.104340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.104340 (E_RNA)
where:
Base-Base interactions energy: -324.589
where: short stacking energy: -125.134
Base-Backbone interact. energy: 0.653
local terms energy: -156.168277
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -38.708
flat angles C4'-P-C4' energy: -36.059
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -33.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -478.097527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.097527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.097527 (E_RNA)
where:
Base-Base interactions energy: -322.170
where: short stacking energy: -130.553
Base-Backbone interact. energy: -0.916
local terms energy: -155.012024
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -38.041
flat angles C4'-P-C4' energy: -31.526
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -37.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -365.827021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.827021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.827021 (E_RNA)
where:
Base-Base interactions energy: -229.925
where: short stacking energy: -110.984
Base-Backbone interact. energy: -1.050
local terms energy: -134.851308
where:
bonds (distance) C4'-P energy: -30.595
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -331.899848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.899848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.899848 (E_RNA)
where:
Base-Base interactions energy: -203.857
where: short stacking energy: -92.560
Base-Backbone interact. energy: -1.299
local terms energy: -126.743458
where:
bonds (distance) C4'-P energy: -33.055
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -260.361629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.361629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.361629 (E_RNA)
where:
Base-Base interactions energy: -124.989
where: short stacking energy: -66.529
Base-Backbone interact. energy: 2.496
local terms energy: -137.868434
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -37.893
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -214.508728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.508728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.508728 (E_RNA)
where:
Base-Base interactions energy: -111.118
where: short stacking energy: -60.089
Base-Backbone interact. energy: 1.657
local terms energy: -105.047451
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -158.192052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.192052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.192052 (E_RNA)
where:
Base-Base interactions energy: -75.499
where: short stacking energy: -60.840
Base-Backbone interact. energy: -0.243
local terms energy: -82.450621
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: -0.126
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: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -603.711381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.711381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.711381 (E_RNA)
where:
Base-Base interactions energy: -430.326
where: short stacking energy: -168.052
Base-Backbone interact. energy: -1.380
local terms energy: -172.078106
where:
bonds (distance) C4'-P energy: -31.897
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -37.619
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -41.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.073 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -575.996111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.996111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.996111 (E_RNA)
where:
Base-Base interactions energy: -394.373
where: short stacking energy: -155.756
Base-Backbone interact. energy: -0.401
local terms energy: -181.222290
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -42.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -530.736390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.736390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.736390 (E_RNA)
where:
Base-Base interactions energy: -375.658
where: short stacking energy: -131.777
Base-Backbone interact. energy: -1.792
local terms energy: -155.028077
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -30.123
flat angles C4'-P-C4' energy: -36.459
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -37.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.742 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -494.175085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.175085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.175085 (E_RNA)
where:
Base-Base interactions energy: -343.728
where: short stacking energy: -112.185
Base-Backbone interact. energy: -0.899
local terms energy: -149.548787
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -30.106
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -26.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -467.885875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.885875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.885875 (E_RNA)
where:
Base-Base interactions energy: -315.744
where: short stacking energy: -143.560
Base-Backbone interact. energy: -1.035
local terms energy: -151.106576
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -37.585
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -37.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -353.103241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.103241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.103241 (E_RNA)
where:
Base-Base interactions energy: -213.614
where: short stacking energy: -100.278
Base-Backbone interact. energy: -0.836
local terms energy: -138.653910
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -37.508
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -22.865
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -338.595586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.595586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.595586 (E_RNA)
where:
Base-Base interactions energy: -201.086
where: short stacking energy: -91.119
Base-Backbone interact. energy: -2.061
local terms energy: -135.449108
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -38.633
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -296.526203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.526203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.526203 (E_RNA)
where:
Base-Base interactions energy: -170.088
where: short stacking energy: -80.332
Base-Backbone interact. energy: -1.054
local terms energy: -125.384822
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -14.108
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: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -225.974876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.974876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.974876 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -57.723
Base-Backbone interact. energy: -0.571
local terms energy: -117.592968
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -33.206
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: 3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -148.785221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.785221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.785221 (E_RNA)
where:
Base-Base interactions energy: -45.474
where: short stacking energy: -34.770
Base-Backbone interact. energy: -2.059
local terms energy: -101.251603
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: 3.230
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -586.844355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.844355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.844355 (E_RNA)
where:
Base-Base interactions energy: -408.259
where: short stacking energy: -148.225
Base-Backbone interact. energy: -1.039
local terms energy: -177.546172
where:
bonds (distance) C4'-P energy: -37.071
bonds (distance) P-C4' energy: -35.786
flat angles C4'-P-C4' energy: -35.324
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -40.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -601.778875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.778875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.778875 (E_RNA)
where:
Base-Base interactions energy: -421.156
where: short stacking energy: -164.340
Base-Backbone interact. energy: 1.049
local terms energy: -181.671604
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -29.569
flat angles C4'-P-C4' energy: -40.131
flat angles P-C4'-P energy: -27.407
tors. eta vs tors. theta energy: -47.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -540.188844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.188844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.188844 (E_RNA)
where:
Base-Base interactions energy: -368.577
where: short stacking energy: -152.885
Base-Backbone interact. energy: -1.994
local terms energy: -170.222837
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -35.933
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -42.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.605 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -481.005186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.005186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.005186 (E_RNA)
where:
Base-Base interactions energy: -343.946
where: short stacking energy: -132.775
Base-Backbone interact. energy: -0.362
local terms energy: -136.697272
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -33.552
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -21.412
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: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -452.060995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.060995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.060995 (E_RNA)
where:
Base-Base interactions energy: -304.758
where: short stacking energy: -105.608
Base-Backbone interact. energy: -2.937
local terms energy: -144.365584
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -28.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -361.209552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.209552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.209552 (E_RNA)
where:
Base-Base interactions energy: -223.486
where: short stacking energy: -99.386
Base-Backbone interact. energy: -1.822
local terms energy: -139.414743
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -28.927
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.513 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -368.610068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.610068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.610068 (E_RNA)
where:
Base-Base interactions energy: -230.592
where: short stacking energy: -102.828
Base-Backbone interact. energy: 2.959
local terms energy: -140.977095
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -259.856095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.856095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.856095 (E_RNA)
where:
Base-Base interactions energy: -136.835
where: short stacking energy: -71.608
Base-Backbone interact. energy: 0.140
local terms energy: -123.161913
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -225.090992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.090992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.090992 (E_RNA)
where:
Base-Base interactions energy: -113.895
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.430
local terms energy: -110.766290
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: 0.214
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: 292
Temperature: 1.350000
Total energy: -152.537683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.537683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.537683 (E_RNA)
where:
Base-Base interactions energy: -49.743
where: short stacking energy: -32.667
Base-Backbone interact. energy: 1.473
local terms energy: -104.267903
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -30.610
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -1.009
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: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -599.790184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.790184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.790184 (E_RNA)
where:
Base-Base interactions energy: -426.113
where: short stacking energy: -154.489
Base-Backbone interact. energy: -1.875
local terms energy: -171.801742
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -34.932
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -42.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -574.827273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.827273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.827273 (E_RNA)
where:
Base-Base interactions energy: -387.046
where: short stacking energy: -167.787
Base-Backbone interact. energy: -0.361
local terms energy: -187.420598
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -42.967
flat angles C4'-P-C4' energy: -41.140
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -52.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -521.520006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.520006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.520006 (E_RNA)
where:
Base-Base interactions energy: -367.449
where: short stacking energy: -146.033
Base-Backbone interact. energy: -0.682
local terms energy: -153.919274
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -37.344
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -35.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.531 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -467.157547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.157547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.157547 (E_RNA)
where:
Base-Base interactions energy: -319.225
where: short stacking energy: -124.235
Base-Backbone interact. energy: 0.930
local terms energy: -148.862383
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -30.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -464.741494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.741494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.741494 (E_RNA)
where:
Base-Base interactions energy: -305.093
where: short stacking energy: -119.070
Base-Backbone interact. energy: 1.713
local terms energy: -161.361594
where:
bonds (distance) C4'-P energy: -29.250
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -34.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -374.759307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.759307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.759307 (E_RNA)
where:
Base-Base interactions energy: -227.122
where: short stacking energy: -115.938
Base-Backbone interact. energy: -2.328
local terms energy: -145.309312
where:
bonds (distance) C4'-P energy: -33.591
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -335.422555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.422555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.422555 (E_RNA)
where:
Base-Base interactions energy: -199.316
where: short stacking energy: -90.612
Base-Backbone interact. energy: -0.509
local terms energy: -135.597769
where:
bonds (distance) C4'-P energy: -26.547
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -32.481
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -17.491
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: 293
Temperature: 1.250000
Total energy: -247.857229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.857229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.857229 (E_RNA)
where:
Base-Base interactions energy: -120.434
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.681
local terms energy: -126.742006
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -22.930
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: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -211.676311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.676311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.676311 (E_RNA)
where:
Base-Base interactions energy: -106.726
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.957
local terms energy: -103.998987
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -34.252
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -16.600
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: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -141.153591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.153591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.153591 (E_RNA)
where:
Base-Base interactions energy: -43.241
where: short stacking energy: -37.362
Base-Backbone interact. energy: -0.543
local terms energy: -97.680906
where:
bonds (distance) C4'-P energy: -25.673
bonds (distance) P-C4' energy: -29.845
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: 8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.311 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -597.661002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.661002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.661002 (E_RNA)
where:
Base-Base interactions energy: -418.885
where: short stacking energy: -156.074
Base-Backbone interact. energy: -0.879
local terms energy: -177.897506
where:
bonds (distance) C4'-P energy: -34.930
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -27.395
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -567.326520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.326520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.326520 (E_RNA)
where:
Base-Base interactions energy: -382.286
where: short stacking energy: -160.314
Base-Backbone interact. energy: -0.627
local terms energy: -184.413629
where:
bonds (distance) C4'-P energy: -32.789
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -47.335
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: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -546.548091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.548091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.548091 (E_RNA)
where:
Base-Base interactions energy: -384.287
where: short stacking energy: -147.229
Base-Backbone interact. energy: -2.676
local terms energy: -165.680674
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -36.639
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -39.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 6.095 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -489.313371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.313371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.313371 (E_RNA)
where:
Base-Base interactions energy: -335.228
where: short stacking energy: -136.270
Base-Backbone interact. energy: -2.043
local terms energy: -152.042180
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -38.790
flat angles C4'-P-C4' energy: -30.463
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -454.701809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.701809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.701809 (E_RNA)
where:
Base-Base interactions energy: -287.996
where: short stacking energy: -117.359
Base-Backbone interact. energy: -0.891
local terms energy: -165.813929
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -37.864
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -33.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -346.711781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.711781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.711781 (E_RNA)
where:
Base-Base interactions energy: -197.305
where: short stacking energy: -102.406
Base-Backbone interact. energy: -1.837
local terms energy: -147.569677
where:
bonds (distance) C4'-P energy: -37.311
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -29.248
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -23.664
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: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -341.831647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.831647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.831647 (E_RNA)
where:
Base-Base interactions energy: -200.950
where: short stacking energy: -81.749
Base-Backbone interact. energy: -1.900
local terms energy: -138.981122
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -36.375
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -22.229
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: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -249.040482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.040482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.040482 (E_RNA)
where:
Base-Base interactions energy: -133.343
where: short stacking energy: -66.690
Base-Backbone interact. energy: -0.097
local terms energy: -115.600042
where:
bonds (distance) C4'-P energy: -29.721
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -225.493294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.493294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.493294 (E_RNA)
where:
Base-Base interactions energy: -122.839
where: short stacking energy: -77.566
Base-Backbone interact. energy: -0.150
local terms energy: -102.504177
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -148.781987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.781987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.781987 (E_RNA)
where:
Base-Base interactions energy: -64.623
where: short stacking energy: -42.215
Base-Backbone interact. energy: -0.879
local terms energy: -83.279929
where:
bonds (distance) C4'-P energy: -29.154
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: 13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -595.041857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.041857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.041857 (E_RNA)
where:
Base-Base interactions energy: -415.053
where: short stacking energy: -162.509
Base-Backbone interact. energy: -1.488
local terms energy: -178.500921
where:
bonds (distance) C4'-P energy: -37.617
bonds (distance) P-C4' energy: -35.594
flat angles C4'-P-C4' energy: -37.892
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -45.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -567.407326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.407326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.407326 (E_RNA)
where:
Base-Base interactions energy: -385.121
where: short stacking energy: -166.358
Base-Backbone interact. energy: -0.520
local terms energy: -181.767056
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -32.703
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -50.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -524.242375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.242375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.242375 (E_RNA)
where:
Base-Base interactions energy: -359.497
where: short stacking energy: -146.335
Base-Backbone interact. energy: 1.347
local terms energy: -166.620201
where:
bonds (distance) C4'-P energy: -38.471
bonds (distance) P-C4' energy: -30.230
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -38.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.528 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -482.309056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.309056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.309056 (E_RNA)
where:
Base-Base interactions energy: -328.901
where: short stacking energy: -127.468
Base-Backbone interact. energy: -0.161
local terms energy: -153.246208
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -36.852
flat angles C4'-P-C4' energy: -38.175
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -30.215
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: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -415.956166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.956166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.956166 (E_RNA)
where:
Base-Base interactions energy: -268.342
where: short stacking energy: -115.160
Base-Backbone interact. energy: -0.123
local terms energy: -147.491046
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -41.717
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -350.969082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.969082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.969082 (E_RNA)
where:
Base-Base interactions energy: -211.020
where: short stacking energy: -88.928
Base-Backbone interact. energy: -2.297
local terms energy: -137.652199
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -37.063
flat angles C4'-P-C4' energy: -32.789
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -330.629085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.629085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.629085 (E_RNA)
where:
Base-Base interactions energy: -202.497
where: short stacking energy: -89.778
Base-Backbone interact. energy: -0.499
local terms energy: -127.633277
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -250.668274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.668274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.668274 (E_RNA)
where:
Base-Base interactions energy: -121.245
where: short stacking energy: -76.233
Base-Backbone interact. energy: 0.674
local terms energy: -130.097265
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -13.217
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: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -234.262507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.262507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.262507 (E_RNA)
where:
Base-Base interactions energy: -128.261
where: short stacking energy: -66.534
Base-Backbone interact. energy: 3.248
local terms energy: -109.249409
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -149.156946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.156946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.156946 (E_RNA)
where:
Base-Base interactions energy: -45.870
where: short stacking energy: -32.815
Base-Backbone interact. energy: -1.615
local terms energy: -101.671527
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -28.550
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: 7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -606.811246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.811246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.811246 (E_RNA)
where:
Base-Base interactions energy: -413.756
where: short stacking energy: -167.595
Base-Backbone interact. energy: -1.175
local terms energy: -191.879602
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -43.830
flat angles P-C4'-P energy: -29.066
tors. eta vs tors. theta energy: -47.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -593.263024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.263024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.263024 (E_RNA)
where:
Base-Base interactions energy: -428.174
where: short stacking energy: -162.899
Base-Backbone interact. energy: -2.429
local terms energy: -162.660616
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -31.265
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -42.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -502.576733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.576733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.576733 (E_RNA)
where:
Base-Base interactions energy: -349.543
where: short stacking energy: -135.603
Base-Backbone interact. energy: -0.075
local terms energy: -152.959140
where:
bonds (distance) C4'-P energy: -32.457
bonds (distance) P-C4' energy: -30.611
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -28.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -494.860618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.860618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.860618 (E_RNA)
where:
Base-Base interactions energy: -347.344
where: short stacking energy: -136.831
Base-Backbone interact. energy: -1.054
local terms energy: -147.057753
where:
bonds (distance) C4'-P energy: -37.008
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -32.043
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -32.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.595 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -399.201064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.201064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.201064 (E_RNA)
where:
Base-Base interactions energy: -260.392
where: short stacking energy: -109.988
Base-Backbone interact. energy: -0.835
local terms energy: -137.974429
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -24.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -355.549489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.549489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.549489 (E_RNA)
where:
Base-Base interactions energy: -209.323
where: short stacking energy: -89.381
Base-Backbone interact. energy: -1.374
local terms energy: -144.852417
where:
bonds (distance) C4'-P energy: -33.667
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -24.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -340.566753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.566753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.566753 (E_RNA)
where:
Base-Base interactions energy: -218.431
where: short stacking energy: -93.588
Base-Backbone interact. energy: -0.879
local terms energy: -121.256513
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -17.692
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: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -228.841648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.841648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.841648 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.001
local terms energy: -117.180253
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -38.295
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -174.083745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.083745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.083745 (E_RNA)
where:
Base-Base interactions energy: -65.798
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.945
local terms energy: -107.340546
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: 1.181
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: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -236.466983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.466983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.466983 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -68.530
Base-Backbone interact. energy: 0.817
local terms energy: -112.319570
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -595.608937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.608937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.608937 (E_RNA)
where:
Base-Base interactions energy: -404.893
where: short stacking energy: -171.313
Base-Backbone interact. energy: 0.537
local terms energy: -191.252720
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -43.869
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -30.058
tors. eta vs tors. theta energy: -43.565
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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -598.948891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.948891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.948891 (E_RNA)
where:
Base-Base interactions energy: -421.753
where: short stacking energy: -165.772
Base-Backbone interact. energy: -2.017
local terms energy: -175.178978
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -42.413
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -46.645
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: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -509.291361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.291361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.291361 (E_RNA)
where:
Base-Base interactions energy: -347.890
where: short stacking energy: -132.401
Base-Backbone interact. energy: -0.671
local terms energy: -160.729974
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -37.800
flat angles C4'-P-C4' energy: -36.846
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -30.113
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: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -508.023180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.023180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.023180 (E_RNA)
where:
Base-Base interactions energy: -342.852
where: short stacking energy: -136.089
Base-Backbone interact. energy: 0.846
local terms energy: -166.017378
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -41.220
flat angles P-C4'-P energy: -25.853
tors. eta vs tors. theta energy: -28.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -399.443766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.443766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.443766 (E_RNA)
where:
Base-Base interactions energy: -273.555
where: short stacking energy: -109.309
Base-Backbone interact. energy: -1.625
local terms energy: -124.476291
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -34.299
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -23.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.213 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -355.720037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.720037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.720037 (E_RNA)
where:
Base-Base interactions energy: -221.966
where: short stacking energy: -96.713
Base-Backbone interact. energy: 0.507
local terms energy: -134.260868
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -23.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -352.106676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.106676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.106676 (E_RNA)
where:
Base-Base interactions energy: -213.597
where: short stacking energy: -99.104
Base-Backbone interact. energy: -1.531
local terms energy: -136.977700
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -18.310
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: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -253.820877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.820877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.820877 (E_RNA)
where:
Base-Base interactions energy: -128.176
where: short stacking energy: -67.253
Base-Backbone interact. energy: 2.327
local terms energy: -127.971617
where:
bonds (distance) C4'-P energy: -31.280
bonds (distance) P-C4' energy: -34.557
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -9.346
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: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -174.586252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.586252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.586252 (E_RNA)
where:
Base-Base interactions energy: -80.329
where: short stacking energy: -53.093
Base-Backbone interact. energy: -1.704
local terms energy: -92.553020
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -37.152
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -19.751
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: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -228.597829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.597829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.597829 (E_RNA)
where:
Base-Base interactions energy: -111.186
where: short stacking energy: -58.901
Base-Backbone interact. energy: -2.000
local terms energy: -115.412538
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -7.544
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: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -609.896529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.896529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.896529 (E_RNA)
where:
Base-Base interactions energy: -431.925
where: short stacking energy: -159.791
Base-Backbone interact. energy: 1.779
local terms energy: -179.750727
where:
bonds (distance) C4'-P energy: -35.236
bonds (distance) P-C4' energy: -31.876
flat angles C4'-P-C4' energy: -38.731
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -43.831
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: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -559.084057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.084057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.084057 (E_RNA)
where:
Base-Base interactions energy: -380.997
where: short stacking energy: -158.293
Base-Backbone interact. energy: -0.862
local terms energy: -177.225342
where:
bonds (distance) C4'-P energy: -36.296
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -40.331
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -42.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -515.042276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.042276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.042276 (E_RNA)
where:
Base-Base interactions energy: -358.533
where: short stacking energy: -127.474
Base-Backbone interact. energy: 0.291
local terms energy: -156.800367
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -33.275
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: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -500.103291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.103291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.103291 (E_RNA)
where:
Base-Base interactions energy: -341.713
where: short stacking energy: -138.835
Base-Backbone interact. energy: -0.288
local terms energy: -158.102240
where:
bonds (distance) C4'-P energy: -36.334
bonds (distance) P-C4' energy: -35.886
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -34.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -382.767134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.767134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.767134 (E_RNA)
where:
Base-Base interactions energy: -248.032
where: short stacking energy: -118.473
Base-Backbone interact. energy: -1.855
local terms energy: -132.880473
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -346.111614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.111614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.111614 (E_RNA)
where:
Base-Base interactions energy: -205.202
where: short stacking energy: -78.290
Base-Backbone interact. energy: 0.613
local terms energy: -141.523119
where:
bonds (distance) C4'-P energy: -37.818
bonds (distance) P-C4' energy: -32.812
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -292.178699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.178699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.178699 (E_RNA)
where:
Base-Base interactions energy: -160.774
where: short stacking energy: -70.251
Base-Backbone interact. energy: -2.188
local terms energy: -129.217496
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -320.314381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.314381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.314381 (E_RNA)
where:
Base-Base interactions energy: -190.475
where: short stacking energy: -89.528
Base-Backbone interact. energy: -0.758
local terms energy: -129.081613
where:
bonds (distance) C4'-P energy: -26.517
bonds (distance) P-C4' energy: -35.487
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -248.938432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.938432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.938432 (E_RNA)
where:
Base-Base interactions energy: -128.474
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.503
local terms energy: -119.961692
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -31.886
flat angles P-C4'-P energy: -16.095
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: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -209.655514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.655514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.655514 (E_RNA)
where:
Base-Base interactions energy: -100.120
where: short stacking energy: -55.055
Base-Backbone interact. energy: -0.777
local terms energy: -108.758691
where:
bonds (distance) C4'-P energy: -34.396
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -603.410216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.410216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.410216 (E_RNA)
where:
Base-Base interactions energy: -419.185
where: short stacking energy: -163.618
Base-Backbone interact. energy: -0.154
local terms energy: -184.071167
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -39.729
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -45.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -567.641485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.641485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.641485 (E_RNA)
where:
Base-Base interactions energy: -399.254
where: short stacking energy: -162.398
Base-Backbone interact. energy: -1.258
local terms energy: -167.130099
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -40.144
flat angles C4'-P-C4' energy: -30.930
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -41.468
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: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -524.632580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.632580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.632580 (E_RNA)
where:
Base-Base interactions energy: -343.701
where: short stacking energy: -139.557
Base-Backbone interact. energy: -2.898
local terms energy: -178.033710
where:
bonds (distance) C4'-P energy: -41.769
bonds (distance) P-C4' energy: -31.340
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -23.255
tors. eta vs tors. theta energy: -44.930
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: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -521.449921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.449921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.449921 (E_RNA)
where:
Base-Base interactions energy: -351.871
where: short stacking energy: -146.880
Base-Backbone interact. energy: 0.363
local terms energy: -171.039854
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -43.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.098 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -420.349642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.349642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.349642 (E_RNA)
where:
Base-Base interactions energy: -253.796
where: short stacking energy: -127.244
Base-Backbone interact. energy: -0.477
local terms energy: -166.076697
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -38.675
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -30.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -336.252072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.252072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.252072 (E_RNA)
where:
Base-Base interactions energy: -206.462
where: short stacking energy: -84.797
Base-Backbone interact. energy: -1.455
local terms energy: -128.335905
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -329.721286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.721286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.721286 (E_RNA)
where:
Base-Base interactions energy: -200.528
where: short stacking energy: -92.414
Base-Backbone interact. energy: 2.513
local terms energy: -131.706025
where:
bonds (distance) C4'-P energy: -32.500
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -306.392287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.392287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.392287 (E_RNA)
where:
Base-Base interactions energy: -182.001
where: short stacking energy: -88.238
Base-Backbone interact. energy: -1.535
local terms energy: -122.856187
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -14.859
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: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -235.004347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.004347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.004347 (E_RNA)
where:
Base-Base interactions energy: -115.893
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.169
local terms energy: -119.057590
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.115 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -211.045639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.045639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.045639 (E_RNA)
where:
Base-Base interactions energy: -120.214
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.503
local terms energy: -90.329142
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -607.713360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.713360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.713360 (E_RNA)
where:
Base-Base interactions energy: -433.922
where: short stacking energy: -155.715
Base-Backbone interact. energy: -0.667
local terms energy: -173.124454
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -43.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -572.619625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.619625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.619625 (E_RNA)
where:
Base-Base interactions energy: -402.662
where: short stacking energy: -154.940
Base-Backbone interact. energy: -1.515
local terms energy: -168.442715
where:
bonds (distance) C4'-P energy: -38.315
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -35.916
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -45.157
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: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -528.552688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.552688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.552688 (E_RNA)
where:
Base-Base interactions energy: -361.768
where: short stacking energy: -149.313
Base-Backbone interact. energy: -1.231
local terms energy: -165.553292
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -34.301
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -26.055
tors. eta vs tors. theta energy: -34.385
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: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -529.488683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.488683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.488683 (E_RNA)
where:
Base-Base interactions energy: -354.139
where: short stacking energy: -136.604
Base-Backbone interact. energy: -1.067
local terms energy: -174.282470
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -36.779
flat angles C4'-P-C4' energy: -32.204
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -46.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -392.011758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.011758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.011758 (E_RNA)
where:
Base-Base interactions energy: -232.370
where: short stacking energy: -100.163
Base-Backbone interact. energy: -1.311
local terms energy: -158.330806
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -39.171
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -327.765662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.765662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.765662 (E_RNA)
where:
Base-Base interactions energy: -201.658
where: short stacking energy: -97.166
Base-Backbone interact. energy: 2.892
local terms energy: -129.000319
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -27.196
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -328.063525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.063525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.063525 (E_RNA)
where:
Base-Base interactions energy: -188.250
where: short stacking energy: -94.835
Base-Backbone interact. energy: -0.762
local terms energy: -139.746627
where:
bonds (distance) C4'-P energy: -33.574
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -33.673
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.695 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -298.204563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.204563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.204563 (E_RNA)
where:
Base-Base interactions energy: -183.844
where: short stacking energy: -71.685
Base-Backbone interact. energy: 0.181
local terms energy: -114.541259
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -222.592119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.592119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.592119 (E_RNA)
where:
Base-Base interactions energy: -118.259
where: short stacking energy: -56.388
Base-Backbone interact. energy: -0.672
local terms energy: -103.661094
where:
bonds (distance) C4'-P energy: -29.865
bonds (distance) P-C4' energy: -40.185
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: 2.179
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: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -206.804493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.804493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.804493 (E_RNA)
where:
Base-Base interactions energy: -98.482
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.520
local terms energy: -107.802407
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -39.668
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -4.249
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: 301
Temperature: 0.900000
Total energy: -613.438795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.438795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.438795 (E_RNA)
where:
Base-Base interactions energy: -437.152
where: short stacking energy: -166.666
Base-Backbone interact. energy: -0.751
local terms energy: -175.535625
where:
bonds (distance) C4'-P energy: -34.596
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -30.902
flat angles P-C4'-P energy: -26.154
tors. eta vs tors. theta energy: -47.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -537.159381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.159381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.159381 (E_RNA)
where:
Base-Base interactions energy: -374.107
where: short stacking energy: -147.954
Base-Backbone interact. energy: -1.762
local terms energy: -161.290619
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -34.980
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -38.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -572.379195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.379195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.379195 (E_RNA)
where:
Base-Base interactions energy: -394.963
where: short stacking energy: -152.150
Base-Backbone interact. energy: -1.681
local terms energy: -175.735532
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -39.282
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -27.598
tors. eta vs tors. theta energy: -42.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -518.840042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.840042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.840042 (E_RNA)
where:
Base-Base interactions energy: -357.224
where: short stacking energy: -141.717
Base-Backbone interact. energy: -0.436
local terms energy: -161.180027
where:
bonds (distance) C4'-P energy: -37.532
bonds (distance) P-C4' energy: -31.477
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -34.419
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: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -420.487775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.487775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.487775 (E_RNA)
where:
Base-Base interactions energy: -267.423
where: short stacking energy: -120.990
Base-Backbone interact. energy: 1.019
local terms energy: -154.084477
where:
bonds (distance) C4'-P energy: -35.578
bonds (distance) P-C4' energy: -32.661
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -325.158525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.158525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.158525 (E_RNA)
where:
Base-Base interactions energy: -199.634
where: short stacking energy: -87.486
Base-Backbone interact. energy: 2.716
local terms energy: -128.240845
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -38.788
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -12.198
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: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -337.594890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.594890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.594890 (E_RNA)
where:
Base-Base interactions energy: -197.779
where: short stacking energy: -90.042
Base-Backbone interact. energy: 1.765
local terms energy: -141.580793
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -310.504869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.504869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.504869 (E_RNA)
where:
Base-Base interactions energy: -184.956
where: short stacking energy: -78.792
Base-Backbone interact. energy: -1.317
local terms energy: -124.232388
where:
bonds (distance) C4'-P energy: -34.607
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -16.004
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: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -224.187520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.187520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.187520 (E_RNA)
where:
Base-Base interactions energy: -103.150
where: short stacking energy: -60.397
Base-Backbone interact. energy: 0.647
local terms energy: -121.684832
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -33.891
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -222.005682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.005682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.005682 (E_RNA)
where:
Base-Base interactions energy: -105.142
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.832
local terms energy: -116.031967
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -19.322
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: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -588.999806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.999806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.999806 (E_RNA)
where:
Base-Base interactions energy: -408.610
where: short stacking energy: -163.318
Base-Backbone interact. energy: 2.409
local terms energy: -182.799252
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -35.826
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -47.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -548.041659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.041659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.041659 (E_RNA)
where:
Base-Base interactions energy: -376.538
where: short stacking energy: -160.497
Base-Backbone interact. energy: -0.886
local terms energy: -170.617229
where:
bonds (distance) C4'-P energy: -39.403
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -32.770
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -42.752
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: 302
Temperature: 1.000000
Total energy: -558.974981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.974981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.974981 (E_RNA)
where:
Base-Base interactions energy: -386.951
where: short stacking energy: -147.425
Base-Backbone interact. energy: -1.647
local terms energy: -170.724427
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -36.267
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -38.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.347 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -498.002817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.002817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.002817 (E_RNA)
where:
Base-Base interactions energy: -330.908
where: short stacking energy: -137.759
Base-Backbone interact. energy: -0.753
local terms energy: -169.022048
where:
bonds (distance) C4'-P energy: -34.380
bonds (distance) P-C4' energy: -31.196
flat angles C4'-P-C4' energy: -31.536
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -42.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.680 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -422.727731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.727731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.727731 (E_RNA)
where:
Base-Base interactions energy: -277.734
where: short stacking energy: -112.156
Base-Backbone interact. energy: -0.809
local terms energy: -144.289692
where:
bonds (distance) C4'-P energy: -26.873
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -26.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -350.681753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.681753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.681753 (E_RNA)
where:
Base-Base interactions energy: -206.876
where: short stacking energy: -115.669
Base-Backbone interact. energy: 0.921
local terms energy: -144.726829
where:
bonds (distance) C4'-P energy: -32.544
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -26.175
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -355.090694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.090694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.090694 (E_RNA)
where:
Base-Base interactions energy: -210.685
where: short stacking energy: -101.965
Base-Backbone interact. energy: -0.757
local terms energy: -143.648636
where:
bonds (distance) C4'-P energy: -31.086
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -22.888
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: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -274.357655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.357655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.357655 (E_RNA)
where:
Base-Base interactions energy: -154.549
where: short stacking energy: -76.726
Base-Backbone interact. energy: -1.487
local terms energy: -118.321081
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -9.173
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: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -207.172373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.172373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.172373 (E_RNA)
where:
Base-Base interactions energy: -108.702
where: short stacking energy: -63.602
Base-Backbone interact. energy: -1.720
local terms energy: -96.750688
where:
bonds (distance) C4'-P energy: -29.015
bonds (distance) P-C4' energy: -32.073
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -236.982158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.982158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.982158 (E_RNA)
where:
Base-Base interactions energy: -117.688
where: short stacking energy: -66.995
Base-Backbone interact. energy: -1.170
local terms energy: -118.124231
where:
bonds (distance) C4'-P energy: -39.823
bonds (distance) P-C4' energy: -35.399
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -3.292
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: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -589.249292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.249292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.249292 (E_RNA)
where:
Base-Base interactions energy: -417.160
where: short stacking energy: -167.968
Base-Backbone interact. energy: 2.049
local terms energy: -174.138825
where:
bonds (distance) C4'-P energy: -34.769
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -39.780
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -47.190
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: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -579.319340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.319340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.319340 (E_RNA)
where:
Base-Base interactions energy: -405.179
where: short stacking energy: -156.953
Base-Backbone interact. energy: -1.631
local terms energy: -172.806048
where:
bonds (distance) C4'-P energy: -37.439
bonds (distance) P-C4' energy: -38.069
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -41.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.296 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -533.102481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.102481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.102481 (E_RNA)
where:
Base-Base interactions energy: -368.480
where: short stacking energy: -141.912
Base-Backbone interact. energy: 0.963
local terms energy: -165.585441
where:
bonds (distance) C4'-P energy: -33.434
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -35.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -512.472822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.472822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.472822 (E_RNA)
where:
Base-Base interactions energy: -341.373
where: short stacking energy: -133.855
Base-Backbone interact. energy: -1.852
local terms energy: -169.247689
where:
bonds (distance) C4'-P energy: -38.892
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -37.308
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: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -441.418917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.418917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.418917 (E_RNA)
where:
Base-Base interactions energy: -289.453
where: short stacking energy: -121.769
Base-Backbone interact. energy: -0.006
local terms energy: -154.726665
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -37.014
flat angles C4'-P-C4' energy: -36.909
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.767 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -340.359056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.359056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.359056 (E_RNA)
where:
Base-Base interactions energy: -222.717
where: short stacking energy: -91.212
Base-Backbone interact. energy: -1.799
local terms energy: -115.842619
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -31.485
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -316.770513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.770513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.770513 (E_RNA)
where:
Base-Base interactions energy: -181.164
where: short stacking energy: -88.481
Base-Backbone interact. energy: 0.069
local terms energy: -135.675447
where:
bonds (distance) C4'-P energy: -36.858
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -314.298977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.298977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.298977 (E_RNA)
where:
Base-Base interactions energy: -191.957
where: short stacking energy: -97.547
Base-Backbone interact. energy: -0.295
local terms energy: -122.334202
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -14.915
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: 0.288 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -224.921237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.921237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.921237 (E_RNA)
where:
Base-Base interactions energy: -105.338
where: short stacking energy: -61.456
Base-Backbone interact. energy: -0.594
local terms energy: -118.989628
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -226.338396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.338396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.338396 (E_RNA)
where:
Base-Base interactions energy: -124.716
where: short stacking energy: -56.142
Base-Backbone interact. energy: -0.378
local terms energy: -101.244852
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -3.544
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: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -597.675573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.675573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.675573 (E_RNA)
where:
Base-Base interactions energy: -415.254
where: short stacking energy: -157.334
Base-Backbone interact. energy: -0.159
local terms energy: -182.263249
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -50.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -565.069200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.069200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.069200 (E_RNA)
where:
Base-Base interactions energy: -404.035
where: short stacking energy: -160.264
Base-Backbone interact. energy: 0.812
local terms energy: -162.876682
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -36.454
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -39.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.030 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -519.652877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.652877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.652877 (E_RNA)
where:
Base-Base interactions energy: -355.265
where: short stacking energy: -143.115
Base-Backbone interact. energy: -0.854
local terms energy: -163.533088
where:
bonds (distance) C4'-P energy: -36.536
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -36.083
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: 304
Temperature: 1.050000
Total energy: -538.942317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.942317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.942317 (E_RNA)
where:
Base-Base interactions energy: -364.552
where: short stacking energy: -154.153
Base-Backbone interact. energy: -0.203
local terms energy: -174.187223
where:
bonds (distance) C4'-P energy: -29.717
bonds (distance) P-C4' energy: -38.227
flat angles C4'-P-C4' energy: -33.344
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -46.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -446.686735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.686735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.686735 (E_RNA)
where:
Base-Base interactions energy: -302.205
where: short stacking energy: -119.341
Base-Backbone interact. energy: -1.325
local terms energy: -143.156835
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -27.221
tors. eta vs tors. theta energy: -30.153
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: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -397.234994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.234994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.234994 (E_RNA)
where:
Base-Base interactions energy: -243.213
where: short stacking energy: -124.589
Base-Backbone interact. energy: -0.700
local terms energy: -153.321691
where:
bonds (distance) C4'-P energy: -37.371
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -28.118
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: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -295.219863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.219863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.219863 (E_RNA)
where:
Base-Base interactions energy: -174.916
where: short stacking energy: -85.485
Base-Backbone interact. energy: -0.441
local terms energy: -119.862943
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -36.453
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -21.757
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -304.095144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.095144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.095144 (E_RNA)
where:
Base-Base interactions energy: -174.371
where: short stacking energy: -81.354
Base-Backbone interact. energy: -0.423
local terms energy: -129.301194
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -244.900832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.900832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.900832 (E_RNA)
where:
Base-Base interactions energy: -120.107
where: short stacking energy: -69.483
Base-Backbone interact. energy: -0.217
local terms energy: -124.576744
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -14.089
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: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -231.412800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.412800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.412800 (E_RNA)
where:
Base-Base interactions energy: -114.004
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.272
local terms energy: -117.136722
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -587.901425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.901425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.901425 (E_RNA)
where:
Base-Base interactions energy: -405.670
where: short stacking energy: -154.024
Base-Backbone interact. energy: -1.796
local terms energy: -180.434482
where:
bonds (distance) C4'-P energy: -37.095
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -40.115
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -42.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -573.649825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.649825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.649825 (E_RNA)
where:
Base-Base interactions energy: -399.261
where: short stacking energy: -152.428
Base-Backbone interact. energy: -1.528
local terms energy: -172.949684
where:
bonds (distance) C4'-P energy: -32.711
bonds (distance) P-C4' energy: -31.398
flat angles C4'-P-C4' energy: -39.952
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -46.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.089 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -514.322326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.322326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.322326 (E_RNA)
where:
Base-Base interactions energy: -359.782
where: short stacking energy: -137.037
Base-Backbone interact. energy: -1.978
local terms energy: -152.562188
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -29.678
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -30.043
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: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -513.092876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.092876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.092876 (E_RNA)
where:
Base-Base interactions energy: -351.682
where: short stacking energy: -141.879
Base-Backbone interact. energy: 1.438
local terms energy: -162.849571
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -39.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -428.873782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.873782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.873782 (E_RNA)
where:
Base-Base interactions energy: -282.213
where: short stacking energy: -122.504
Base-Backbone interact. energy: -0.638
local terms energy: -146.022558
where:
bonds (distance) C4'-P energy: -32.178
bonds (distance) P-C4' energy: -33.559
flat angles C4'-P-C4' energy: -31.669
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: -28.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -355.118004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.118004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.118004 (E_RNA)
where:
Base-Base interactions energy: -213.466
where: short stacking energy: -106.751
Base-Backbone interact. energy: -0.938
local terms energy: -140.714142
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -32.095
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -26.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -304.771753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.771753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.771753 (E_RNA)
where:
Base-Base interactions energy: -178.120
where: short stacking energy: -93.690
Base-Backbone interact. energy: -1.205
local terms energy: -125.447028
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -13.256
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: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -294.853092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.853092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.853092 (E_RNA)
where:
Base-Base interactions energy: -166.717
where: short stacking energy: -79.925
Base-Backbone interact. energy: -1.255
local terms energy: -126.881660
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -38.488
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -214.300953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.300953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.300953 (E_RNA)
where:
Base-Base interactions energy: -98.092
where: short stacking energy: -52.031
Base-Backbone interact. energy: -0.887
local terms energy: -116.661799
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: 1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.340 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -240.538913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.538913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.538913 (E_RNA)
where:
Base-Base interactions energy: -134.290
where: short stacking energy: -67.790
Base-Backbone interact. energy: -0.143
local terms energy: -106.106169
where:
bonds (distance) C4'-P energy: -37.066
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -588.067351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.067351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.067351 (E_RNA)
where:
Base-Base interactions energy: -411.178
where: short stacking energy: -167.876
Base-Backbone interact. energy: -0.750
local terms energy: -176.139723
where:
bonds (distance) C4'-P energy: -33.395
bonds (distance) P-C4' energy: -38.901
flat angles C4'-P-C4' energy: -35.988
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -43.308
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: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -576.071205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.071205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.071205 (E_RNA)
where:
Base-Base interactions energy: -392.530
where: short stacking energy: -160.259
Base-Backbone interact. energy: -1.021
local terms energy: -182.520121
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -40.349
flat angles C4'-P-C4' energy: -38.913
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -45.057
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: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -540.228781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.228781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.228781 (E_RNA)
where:
Base-Base interactions energy: -363.366
where: short stacking energy: -142.418
Base-Backbone interact. energy: -2.016
local terms energy: -174.846781
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -36.627
flat angles C4'-P-C4' energy: -34.818
flat angles P-C4'-P energy: -32.855
tors. eta vs tors. theta energy: -39.576
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: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -500.639092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.639092 (E_RNA)
where:
Base-Base interactions energy: -322.402
where: short stacking energy: -115.451
Base-Backbone interact. energy: -0.750
local terms energy: -177.487304
where:
bonds (distance) C4'-P energy: -41.583
bonds (distance) P-C4' energy: -37.062
flat angles C4'-P-C4' energy: -39.728
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -32.995
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: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -430.686554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.686554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.686554 (E_RNA)
where:
Base-Base interactions energy: -268.592
where: short stacking energy: -106.259
Base-Backbone interact. energy: -0.839
local terms energy: -161.254761
where:
bonds (distance) C4'-P energy: -37.722
bonds (distance) P-C4' energy: -45.320
flat angles C4'-P-C4' energy: -27.902
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -26.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -361.252059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.252059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.252059 (E_RNA)
where:
Base-Base interactions energy: -210.697
where: short stacking energy: -104.641
Base-Backbone interact. energy: -1.555
local terms energy: -149.853936
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -30.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.854 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -351.643133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.643133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.643133 (E_RNA)
where:
Base-Base interactions energy: -229.372
where: short stacking energy: -103.907
Base-Backbone interact. energy: -2.067
local terms energy: -120.204336
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -33.519
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -19.035
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: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -319.952680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.952680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.952680 (E_RNA)
where:
Base-Base interactions energy: -183.620
where: short stacking energy: -90.390
Base-Backbone interact. energy: -0.467
local terms energy: -135.865307
where:
bonds (distance) C4'-P energy: -28.231
bonds (distance) P-C4' energy: -41.478
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -222.797740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.797740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.797740 (E_RNA)
where:
Base-Base interactions energy: -116.143
where: short stacking energy: -62.036
Base-Backbone interact. energy: 1.493
local terms energy: -108.147006
where:
bonds (distance) C4'-P energy: -32.529
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -213.723889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.723889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.723889 (E_RNA)
where:
Base-Base interactions energy: -99.180
where: short stacking energy: -55.182
Base-Backbone interact. energy: -0.744
local terms energy: -113.799829
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -35.950
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -593.133997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.133997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.133997 (E_RNA)
where:
Base-Base interactions energy: -406.682
where: short stacking energy: -164.234
Base-Backbone interact. energy: -0.646
local terms energy: -185.806379
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -28.614
tors. eta vs tors. theta energy: -49.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -574.470756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.470756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.470756 (E_RNA)
where:
Base-Base interactions energy: -387.764
where: short stacking energy: -153.199
Base-Backbone interact. energy: -1.319
local terms energy: -185.387866
where:
bonds (distance) C4'-P energy: -36.851
bonds (distance) P-C4' energy: -35.098
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -46.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -530.979797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.979797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.979797 (E_RNA)
where:
Base-Base interactions energy: -370.227
where: short stacking energy: -153.201
Base-Backbone interact. energy: -0.057
local terms energy: -160.695309
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -33.289
flat angles C4'-P-C4' energy: -35.734
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: -41.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -505.044058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.044058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.044058 (E_RNA)
where:
Base-Base interactions energy: -342.787
where: short stacking energy: -136.718
Base-Backbone interact. energy: -2.019
local terms energy: -160.237413
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -40.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -432.185877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.185877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.185877 (E_RNA)
where:
Base-Base interactions energy: -277.671
where: short stacking energy: -125.648
Base-Backbone interact. energy: -0.561
local terms energy: -153.954116
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -32.721
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -29.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -360.339835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.339835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.339835 (E_RNA)
where:
Base-Base interactions energy: -216.637
where: short stacking energy: -87.102
Base-Backbone interact. energy: -2.577
local terms energy: -141.126137
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -19.192
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: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -349.865462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.865462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.865462 (E_RNA)
where:
Base-Base interactions energy: -222.024
where: short stacking energy: -107.895
Base-Backbone interact. energy: -0.681
local terms energy: -127.160137
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -19.810
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: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -303.634162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.634162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.634162 (E_RNA)
where:
Base-Base interactions energy: -162.102
where: short stacking energy: -73.631
Base-Backbone interact. energy: -1.651
local terms energy: -139.880915
where:
bonds (distance) C4'-P energy: -34.416
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -13.331
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: 307
Temperature: 1.300000
Total energy: -288.911985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.911985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.911985 (E_RNA)
where:
Base-Base interactions energy: -169.236
where: short stacking energy: -68.752
Base-Backbone interact. energy: -0.761
local terms energy: -118.914619
where:
bonds (distance) C4'-P energy: -33.582
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -9.596
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: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -196.812733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.812733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.812733 (E_RNA)
where:
Base-Base interactions energy: -100.396
where: short stacking energy: -46.560
Base-Backbone interact. energy: 1.946
local terms energy: -98.362716
where:
bonds (distance) C4'-P energy: -34.579
bonds (distance) P-C4' energy: -34.855
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: 12.357
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: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -591.313010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.313010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.313010 (E_RNA)
where:
Base-Base interactions energy: -410.504
where: short stacking energy: -167.849
Base-Backbone interact. energy: -0.221
local terms energy: -180.587613
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -50.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -580.401429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.401429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.401429 (E_RNA)
where:
Base-Base interactions energy: -397.004
where: short stacking energy: -161.318
Base-Backbone interact. energy: -2.077
local terms energy: -181.320612
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -39.442
flat angles P-C4'-P energy: -27.726
tors. eta vs tors. theta energy: -48.523
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: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -536.010396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.010396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.010396 (E_RNA)
where:
Base-Base interactions energy: -363.407
where: short stacking energy: -138.133
Base-Backbone interact. energy: -0.732
local terms energy: -171.871772
where:
bonds (distance) C4'-P energy: -33.114
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: -43.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -525.628135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.628135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.628135 (E_RNA)
where:
Base-Base interactions energy: -361.745
where: short stacking energy: -146.986
Base-Backbone interact. energy: 0.893
local terms energy: -164.776501
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -31.591
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -45.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -439.374478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.374478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.374478 (E_RNA)
where:
Base-Base interactions energy: -296.676
where: short stacking energy: -119.885
Base-Backbone interact. energy: -0.409
local terms energy: -142.289970
where:
bonds (distance) C4'-P energy: -34.190
bonds (distance) P-C4' energy: -32.611
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -27.297
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -369.615833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.615833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.615833 (E_RNA)
where:
Base-Base interactions energy: -219.598
where: short stacking energy: -92.676
Base-Backbone interact. energy: -0.093
local terms energy: -149.925431
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -41.140
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -337.564664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.564664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.564664 (E_RNA)
where:
Base-Base interactions energy: -210.718
where: short stacking energy: -99.448
Base-Backbone interact. energy: -0.493
local terms energy: -126.353540
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -17.611
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: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -322.545369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.545369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.545369 (E_RNA)
where:
Base-Base interactions energy: -191.073
where: short stacking energy: -90.767
Base-Backbone interact. energy: 2.216
local terms energy: -133.688754
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -32.294
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: -24.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -299.893138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.893138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.893138 (E_RNA)
where:
Base-Base interactions energy: -169.446
where: short stacking energy: -81.047
Base-Backbone interact. energy: -0.009
local terms energy: -130.437933
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -31.783
flat angles C4'-P-C4' energy: -26.231
flat angles P-C4'-P energy: -27.841
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -154.467882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.467882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.467882 (E_RNA)
where:
Base-Base interactions energy: -58.000
where: short stacking energy: -40.741
Base-Backbone interact. energy: -1.044
local terms energy: -95.423396
where:
bonds (distance) C4'-P energy: -27.594
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: 8.320
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: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -591.818025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.818025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.818025 (E_RNA)
where:
Base-Base interactions energy: -411.912
where: short stacking energy: -165.415
Base-Backbone interact. energy: -1.699
local terms energy: -178.206404
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -38.902
flat angles C4'-P-C4' energy: -39.324
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -48.849
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: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -577.826399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.826399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.826399 (E_RNA)
where:
Base-Base interactions energy: -399.818
where: short stacking energy: -155.231
Base-Backbone interact. energy: -2.301
local terms energy: -175.707835
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -38.845
flat angles C4'-P-C4' energy: -37.574
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -45.238
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: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -539.325427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.325427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.325427 (E_RNA)
where:
Base-Base interactions energy: -385.556
where: short stacking energy: -149.298
Base-Backbone interact. energy: 0.757
local terms energy: -154.526330
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -36.579
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -38.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -537.689093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.689093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.689093 (E_RNA)
where:
Base-Base interactions energy: -381.446
where: short stacking energy: -144.505
Base-Backbone interact. energy: -0.615
local terms energy: -155.627949
where:
bonds (distance) C4'-P energy: -28.355
bonds (distance) P-C4' energy: -32.603
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -41.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -413.631866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.631866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.631866 (E_RNA)
where:
Base-Base interactions energy: -254.012
where: short stacking energy: -112.710
Base-Backbone interact. energy: -0.867
local terms energy: -158.753049
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -40.393
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -371.877277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.877277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.877277 (E_RNA)
where:
Base-Base interactions energy: -227.180
where: short stacking energy: -109.503
Base-Backbone interact. energy: -1.728
local terms energy: -142.968422
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -29.479
tors. eta vs tors. theta energy: -22.346
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: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -335.027072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.027072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.027072 (E_RNA)
where:
Base-Base interactions energy: -189.157
where: short stacking energy: -93.977
Base-Backbone interact. energy: 0.264
local terms energy: -146.133862
where:
bonds (distance) C4'-P energy: -32.484
bonds (distance) P-C4' energy: -40.275
flat angles C4'-P-C4' energy: -35.878
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -342.166121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.166121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.166121 (E_RNA)
where:
Base-Base interactions energy: -197.023
where: short stacking energy: -78.567
Base-Backbone interact. energy: 4.439
local terms energy: -149.925728
where:
bonds (distance) C4'-P energy: -34.935
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -31.555
flat angles P-C4'-P energy: -26.467
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.344 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -290.633692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.633692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.633692 (E_RNA)
where:
Base-Base interactions energy: -169.694
where: short stacking energy: -73.106
Base-Backbone interact. energy: -0.435
local terms energy: -120.504685
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -170.609585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.609585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.609585 (E_RNA)
where:
Base-Base interactions energy: -74.591
where: short stacking energy: -48.148
Base-Backbone interact. energy: 0.723
local terms energy: -96.742073
where:
bonds (distance) C4'-P energy: -30.379
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -20.905
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: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -573.207465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.207465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.207465 (E_RNA)
where:
Base-Base interactions energy: -388.252
where: short stacking energy: -155.257
Base-Backbone interact. energy: -0.402
local terms energy: -184.553406
where:
bonds (distance) C4'-P energy: -34.118
bonds (distance) P-C4' energy: -41.367
flat angles C4'-P-C4' energy: -41.257
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -45.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -580.000448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.000448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.000448 (E_RNA)
where:
Base-Base interactions energy: -396.147
where: short stacking energy: -159.403
Base-Backbone interact. energy: -1.419
local terms energy: -182.435104
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -40.195
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -42.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -539.196647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.196647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.196647 (E_RNA)
where:
Base-Base interactions energy: -370.762
where: short stacking energy: -142.716
Base-Backbone interact. energy: -0.834
local terms energy: -167.600806
where:
bonds (distance) C4'-P energy: -33.609
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -32.915
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -40.023
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: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -515.695808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.695808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.695808 (E_RNA)
where:
Base-Base interactions energy: -342.155
where: short stacking energy: -140.910
Base-Backbone interact. energy: -0.573
local terms energy: -172.967741
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -40.048
flat angles C4'-P-C4' energy: -41.007
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -38.242
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: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -430.079008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.079008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.079008 (E_RNA)
where:
Base-Base interactions energy: -284.629
where: short stacking energy: -120.704
Base-Backbone interact. energy: 0.320
local terms energy: -145.769090
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -37.190
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -364.016280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.016280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.016280 (E_RNA)
where:
Base-Base interactions energy: -230.713
where: short stacking energy: -103.916
Base-Backbone interact. energy: 0.243
local terms energy: -133.546520
where:
bonds (distance) C4'-P energy: -32.425
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -35.411
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -20.078
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: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -315.577234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.577234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.577234 (E_RNA)
where:
Base-Base interactions energy: -191.829
where: short stacking energy: -96.044
Base-Backbone interact. energy: -1.134
local terms energy: -122.614221
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -28.913
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -13.156
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: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -298.765023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.765023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.765023 (E_RNA)
where:
Base-Base interactions energy: -167.989
where: short stacking energy: -83.558
Base-Backbone interact. energy: -1.946
local terms energy: -128.829651
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -37.569
flat angles C4'-P-C4' energy: -31.478
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -309.095399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.095399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.095399 (E_RNA)
where:
Base-Base interactions energy: -173.780
where: short stacking energy: -77.149
Base-Backbone interact. energy: -0.490
local terms energy: -134.825166
where:
bonds (distance) C4'-P energy: -34.607
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -191.147910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.147910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.147910 (E_RNA)
where:
Base-Base interactions energy: -100.310
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.033
local terms energy: -91.203935
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -30.657
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.398 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -576.486659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.486659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.486659 (E_RNA)
where:
Base-Base interactions energy: -396.170
where: short stacking energy: -151.617
Base-Backbone interact. energy: -0.500
local terms energy: -179.817398
where:
bonds (distance) C4'-P energy: -38.125
bonds (distance) P-C4' energy: -34.527
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -30.477
tors. eta vs tors. theta energy: -42.677
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: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -553.612041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.612041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.612041 (E_RNA)
where:
Base-Base interactions energy: -386.346
where: short stacking energy: -143.326
Base-Backbone interact. energy: -2.515
local terms energy: -164.750352
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -39.004
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: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -551.343562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.343562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.343562 (E_RNA)
where:
Base-Base interactions energy: -370.219
where: short stacking energy: -149.448
Base-Backbone interact. energy: -2.806
local terms energy: -178.318843
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -40.432
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: -43.959
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: 311
Temperature: 1.050000
Total energy: -523.837664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.837664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.837664 (E_RNA)
where:
Base-Base interactions energy: -352.914
where: short stacking energy: -139.308
Base-Backbone interact. energy: 0.684
local terms energy: -171.607876
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -42.189
flat angles P-C4'-P energy: -30.321
tors. eta vs tors. theta energy: -36.864
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: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -437.039666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.039666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.039666 (E_RNA)
where:
Base-Base interactions energy: -285.604
where: short stacking energy: -124.912
Base-Backbone interact. energy: -1.761
local terms energy: -149.674966
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -25.486
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: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -395.345583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.345583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.345583 (E_RNA)
where:
Base-Base interactions energy: -252.515
where: short stacking energy: -115.490
Base-Backbone interact. energy: -1.601
local terms energy: -141.229600
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -39.693
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -28.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -346.338202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.338202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.338202 (E_RNA)
where:
Base-Base interactions energy: -204.402
where: short stacking energy: -89.546
Base-Backbone interact. energy: -0.929
local terms energy: -141.307975
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -41.275
flat angles C4'-P-C4' energy: -36.243
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.301 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -332.388143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.388143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.388143 (E_RNA)
where:
Base-Base interactions energy: -212.687
where: short stacking energy: -92.329
Base-Backbone interact. energy: 1.198
local terms energy: -120.899314
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -288.916746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.916746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.916746 (E_RNA)
where:
Base-Base interactions energy: -171.105
where: short stacking energy: -76.485
Base-Backbone interact. energy: -0.673
local terms energy: -117.138610
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -33.834
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -15.250
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -152.400141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.400141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.400141 (E_RNA)
where:
Base-Base interactions energy: -65.096
where: short stacking energy: -39.973
Base-Backbone interact. energy: 0.986
local terms energy: -88.290244
where:
bonds (distance) C4'-P energy: -25.010
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -578.979816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.979816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.979816 (E_RNA)
where:
Base-Base interactions energy: -402.227
where: short stacking energy: -160.453
Base-Backbone interact. energy: -0.409
local terms energy: -176.344278
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -39.491
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -45.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -567.645991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.645991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.645991 (E_RNA)
where:
Base-Base interactions energy: -395.569
where: short stacking energy: -151.701
Base-Backbone interact. energy: 0.718
local terms energy: -172.794602
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -35.604
flat angles C4'-P-C4' energy: -35.694
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -39.261
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: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -532.333043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.333043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.333043 (E_RNA)
where:
Base-Base interactions energy: -350.902
where: short stacking energy: -151.059
Base-Backbone interact. energy: -0.630
local terms energy: -180.800856
where:
bonds (distance) C4'-P energy: -41.083
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -43.559
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: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -506.456273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.456273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.456273 (E_RNA)
where:
Base-Base interactions energy: -361.192
where: short stacking energy: -134.760
Base-Backbone interact. energy: 0.028
local terms energy: -145.292960
where:
bonds (distance) C4'-P energy: -26.546
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -33.637
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -33.013
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: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -438.437081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.437081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.437081 (E_RNA)
where:
Base-Base interactions energy: -284.915
where: short stacking energy: -127.945
Base-Backbone interact. energy: -0.828
local terms energy: -152.693873
where:
bonds (distance) C4'-P energy: -37.252
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -30.066
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -35.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -362.088470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.088470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.088470 (E_RNA)
where:
Base-Base interactions energy: -222.984
where: short stacking energy: -103.795
Base-Backbone interact. energy: -0.497
local terms energy: -138.606760
where:
bonds (distance) C4'-P energy: -35.497
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -26.025
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: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -368.154266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.154266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.154266 (E_RNA)
where:
Base-Base interactions energy: -224.270
where: short stacking energy: -105.598
Base-Backbone interact. energy: -0.600
local terms energy: -143.403970
where:
bonds (distance) C4'-P energy: -37.955
bonds (distance) P-C4' energy: -28.659
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -24.340
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: 0.120 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -336.549381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.549381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.549381 (E_RNA)
where:
Base-Base interactions energy: -207.881
where: short stacking energy: -88.484
Base-Backbone interact. energy: 2.736
local terms energy: -131.405317
where:
bonds (distance) C4'-P energy: -37.649
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -16.129
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: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -302.537959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.537959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.537959 (E_RNA)
where:
Base-Base interactions energy: -180.009
where: short stacking energy: -94.185
Base-Backbone interact. energy: -0.481
local terms energy: -122.048149
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -9.792
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: 312
Temperature: 1.350000
Total energy: -157.652355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.652355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.652355 (E_RNA)
where:
Base-Base interactions energy: -50.249
where: short stacking energy: -44.405
Base-Backbone interact. energy: 0.967
local terms energy: -108.370576
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: 7.762
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: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -592.919300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.919300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.919300 (E_RNA)
where:
Base-Base interactions energy: -398.992
where: short stacking energy: -160.976
Base-Backbone interact. energy: -0.631
local terms energy: -193.296380
where:
bonds (distance) C4'-P energy: -36.132
bonds (distance) P-C4' energy: -34.506
flat angles C4'-P-C4' energy: -43.376
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -52.171
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: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -585.149006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.149006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.149006 (E_RNA)
where:
Base-Base interactions energy: -411.494
where: short stacking energy: -153.633
Base-Backbone interact. energy: -1.935
local terms energy: -171.720121
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -38.114
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -40.885
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: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -534.762381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.762381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.762381 (E_RNA)
where:
Base-Base interactions energy: -359.970
where: short stacking energy: -147.632
Base-Backbone interact. energy: 0.949
local terms energy: -175.741407
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -43.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -501.554721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.554721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.554721 (E_RNA)
where:
Base-Base interactions energy: -342.880
where: short stacking energy: -133.438
Base-Backbone interact. energy: -2.160
local terms energy: -156.514257
where:
bonds (distance) C4'-P energy: -36.153
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: -34.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -429.261061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.261061 (E_RNA)
where:
Base-Base interactions energy: -266.634
where: short stacking energy: -114.007
Base-Backbone interact. energy: 1.044
local terms energy: -163.671190
where:
bonds (distance) C4'-P energy: -34.604
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -36.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -347.339557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.339557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.339557 (E_RNA)
where:
Base-Base interactions energy: -214.766
where: short stacking energy: -99.503
Base-Backbone interact. energy: -1.371
local terms energy: -131.203070
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -28.145
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -339.497455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.497455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.497455 (E_RNA)
where:
Base-Base interactions energy: -196.337
where: short stacking energy: -87.523
Base-Backbone interact. energy: 0.666
local terms energy: -143.826363
where:
bonds (distance) C4'-P energy: -34.838
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -39.110
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -304.005257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.005257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.005257 (E_RNA)
where:
Base-Base interactions energy: -187.574
where: short stacking energy: -91.210
Base-Backbone interact. energy: -1.264
local terms energy: -115.166836
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -35.030
flat angles C4'-P-C4' energy: -29.276
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -13.354
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: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -255.088864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.088864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.088864 (E_RNA)
where:
Base-Base interactions energy: -138.378
where: short stacking energy: -64.192
Base-Backbone interact. energy: 1.855
local terms energy: -119.880397
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -26.623
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.314 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -160.937421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.937421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.937421 (E_RNA)
where:
Base-Base interactions energy: -56.949
where: short stacking energy: -57.197
Base-Backbone interact. energy: 1.220
local terms energy: -105.208911
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -33.325
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -3.935
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: 314
Temperature: 0.900000
Total energy: -606.504425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.504425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.504425 (E_RNA)
where:
Base-Base interactions energy: -435.092
where: short stacking energy: -167.688
Base-Backbone interact. energy: -1.174
local terms energy: -170.239133
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -36.854
flat angles P-C4'-P energy: -25.173
tors. eta vs tors. theta energy: -42.302
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -578.490233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.490233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.490233 (E_RNA)
where:
Base-Base interactions energy: -404.311
where: short stacking energy: -165.880
Base-Backbone interact. energy: -1.099
local terms energy: -175.551072
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -39.521
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -49.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.471 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -510.293843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.293843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.293843 (E_RNA)
where:
Base-Base interactions energy: -354.998
where: short stacking energy: -137.181
Base-Backbone interact. energy: -0.773
local terms energy: -154.523196
where:
bonds (distance) C4'-P energy: -33.728
bonds (distance) P-C4' energy: -25.650
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -21.332
tors. eta vs tors. theta energy: -39.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -518.949090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.949090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.949090 (E_RNA)
where:
Base-Base interactions energy: -351.290
where: short stacking energy: -151.663
Base-Backbone interact. energy: -0.485
local terms energy: -167.173759
where:
bonds (distance) C4'-P energy: -31.825
bonds (distance) P-C4' energy: -36.989
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -40.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -428.465135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.465135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.465135 (E_RNA)
where:
Base-Base interactions energy: -276.717
where: short stacking energy: -122.903
Base-Backbone interact. energy: -0.315
local terms energy: -151.433279
where:
bonds (distance) C4'-P energy: -40.063
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -27.481
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: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -323.178074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.178074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.178074 (E_RNA)
where:
Base-Base interactions energy: -184.468
where: short stacking energy: -94.966
Base-Backbone interact. energy: -0.161
local terms energy: -138.549714
where:
bonds (distance) C4'-P energy: -35.182
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -35.446
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -15.099
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: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -333.618880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.618880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.618880 (E_RNA)
where:
Base-Base interactions energy: -205.923
where: short stacking energy: -95.126
Base-Backbone interact. energy: -0.228
local terms energy: -127.467623
where:
bonds (distance) C4'-P energy: -32.229
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -30.606
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -12.299
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: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -304.375125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.375125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.375125 (E_RNA)
where:
Base-Base interactions energy: -178.466
where: short stacking energy: -72.353
Base-Backbone interact. energy: 0.528
local terms energy: -126.437523
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -32.984
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -11.166
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: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -276.176237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.176237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.176237 (E_RNA)
where:
Base-Base interactions energy: -166.292
where: short stacking energy: -76.745
Base-Backbone interact. energy: 0.050
local terms energy: -109.934408
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -32.656
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -159.928473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.928473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.928473 (E_RNA)
where:
Base-Base interactions energy: -50.336
where: short stacking energy: -42.048
Base-Backbone interact. energy: -1.112
local terms energy: -108.480347
where:
bonds (distance) C4'-P energy: -38.648
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: 7.505
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: 315
Temperature: 0.900000
Total energy: -601.630764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.630764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.630764 (E_RNA)
where:
Base-Base interactions energy: -428.547
where: short stacking energy: -172.918
Base-Backbone interact. energy: -1.549
local terms energy: -171.535165
where:
bonds (distance) C4'-P energy: -30.068
bonds (distance) P-C4' energy: -34.657
flat angles C4'-P-C4' energy: -38.719
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -46.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -585.406682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.406682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.406682 (E_RNA)
where:
Base-Base interactions energy: -416.455
where: short stacking energy: -170.582
Base-Backbone interact. energy: 0.442
local terms energy: -169.732512
where:
bonds (distance) C4'-P energy: -35.506
bonds (distance) P-C4' energy: -34.870
flat angles C4'-P-C4' energy: -39.466
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -43.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.338 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -531.690393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.690393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.690393 (E_RNA)
where:
Base-Base interactions energy: -362.255
where: short stacking energy: -135.439
Base-Backbone interact. energy: -0.520
local terms energy: -168.914978
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -26.388
tors. eta vs tors. theta energy: -33.965
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: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -525.177687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.177687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.177687 (E_RNA)
where:
Base-Base interactions energy: -346.213
where: short stacking energy: -137.499
Base-Backbone interact. energy: -0.347
local terms energy: -178.617636
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -39.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -422.250566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.250566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.250566 (E_RNA)
where:
Base-Base interactions energy: -265.107
where: short stacking energy: -116.898
Base-Backbone interact. energy: 3.182
local terms energy: -160.325659
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -34.847
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -33.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -358.000638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.000638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.000638 (E_RNA)
where:
Base-Base interactions energy: -232.840
where: short stacking energy: -97.661
Base-Backbone interact. energy: -0.714
local terms energy: -124.446915
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -26.430
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -309.515584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.515584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.515584 (E_RNA)
where:
Base-Base interactions energy: -179.882
where: short stacking energy: -87.685
Base-Backbone interact. energy: -0.629
local terms energy: -129.004973
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -286.009737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.009737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.009737 (E_RNA)
where:
Base-Base interactions energy: -174.523
where: short stacking energy: -77.898
Base-Backbone interact. energy: -1.606
local terms energy: -109.880038
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -30.415
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -297.206154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.206154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.206154 (E_RNA)
where:
Base-Base interactions energy: -170.523
where: short stacking energy: -81.143
Base-Backbone interact. energy: -1.058
local terms energy: -125.625158
where:
bonds (distance) C4'-P energy: -34.552
bonds (distance) P-C4' energy: -36.845
flat angles C4'-P-C4' energy: -25.239
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -11.223
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: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -148.497361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.497361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.497361 (E_RNA)
where:
Base-Base interactions energy: -52.905
where: short stacking energy: -36.795
Base-Backbone interact. energy: 1.225
local terms energy: -96.816822
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -602.297003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.297003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.297003 (E_RNA)
where:
Base-Base interactions energy: -417.701
where: short stacking energy: -161.193
Base-Backbone interact. energy: -1.438
local terms energy: -183.158230
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -37.965
flat angles C4'-P-C4' energy: -39.497
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -44.410
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: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -571.992505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.992505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.992505 (E_RNA)
where:
Base-Base interactions energy: -400.981
where: short stacking energy: -146.937
Base-Backbone interact. energy: 1.378
local terms energy: -172.389389
where:
bonds (distance) C4'-P energy: -31.693
bonds (distance) P-C4' energy: -38.578
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: -42.821
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: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -524.367256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.367256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.367256 (E_RNA)
where:
Base-Base interactions energy: -354.393
where: short stacking energy: -140.453
Base-Backbone interact. energy: -0.638
local terms energy: -169.335959
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: -38.044
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: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -530.593219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.593219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.593219 (E_RNA)
where:
Base-Base interactions energy: -365.212
where: short stacking energy: -140.798
Base-Backbone interact. energy: 0.520
local terms energy: -165.901624
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -33.037
flat angles P-C4'-P energy: -26.383
tors. eta vs tors. theta energy: -38.585
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -391.446470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.446470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.446470 (E_RNA)
where:
Base-Base interactions energy: -241.750
where: short stacking energy: -97.150
Base-Backbone interact. energy: 0.302
local terms energy: -149.998507
where:
bonds (distance) C4'-P energy: -33.960
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -34.755
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -383.151128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.151128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.151128 (E_RNA)
where:
Base-Base interactions energy: -228.646
where: short stacking energy: -96.297
Base-Backbone interact. energy: 3.997
local terms energy: -158.502989
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -35.593
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -312.413066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.413066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.413066 (E_RNA)
where:
Base-Base interactions energy: -191.053
where: short stacking energy: -93.406
Base-Backbone interact. energy: -0.787
local terms energy: -120.573447
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -30.571
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -13.557
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -280.332396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.332396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.332396 (E_RNA)
where:
Base-Base interactions energy: -189.284
where: short stacking energy: -78.884
Base-Backbone interact. energy: -0.206
local terms energy: -90.842385
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -319.104480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.104480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.104480 (E_RNA)
where:
Base-Base interactions energy: -192.157
where: short stacking energy: -86.038
Base-Backbone interact. energy: 0.038
local terms energy: -126.985245
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -35.199
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -164.557635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.557635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.557635 (E_RNA)
where:
Base-Base interactions energy: -59.643
where: short stacking energy: -47.970
Base-Backbone interact. energy: -1.463
local terms energy: -103.451544
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -38.077
flat angles C4'-P-C4' energy: -28.848
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: 7.972
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: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -608.969396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.969396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.969396 (E_RNA)
where:
Base-Base interactions energy: -427.674
where: short stacking energy: -160.952
Base-Backbone interact. energy: 2.621
local terms energy: -184.035944
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -38.580
flat angles C4'-P-C4' energy: -38.406
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: -48.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.120 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -594.893388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.893388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.893388 (E_RNA)
where:
Base-Base interactions energy: -413.207
where: short stacking energy: -163.739
Base-Backbone interact. energy: -1.133
local terms energy: -180.552751
where:
bonds (distance) C4'-P energy: -34.475
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -40.683
flat angles P-C4'-P energy: -27.702
tors. eta vs tors. theta energy: -46.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -529.645950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.645950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.645950 (E_RNA)
where:
Base-Base interactions energy: -365.859
where: short stacking energy: -150.813
Base-Backbone interact. energy: -0.176
local terms energy: -163.610300
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -35.520
flat angles C4'-P-C4' energy: -38.144
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -39.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -518.292414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.292414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.292414 (E_RNA)
where:
Base-Base interactions energy: -362.264
where: short stacking energy: -145.451
Base-Backbone interact. energy: -0.476
local terms energy: -155.551895
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -38.840
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -38.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -396.070863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.070863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.070863 (E_RNA)
where:
Base-Base interactions energy: -258.358
where: short stacking energy: -113.673
Base-Backbone interact. energy: -1.829
local terms energy: -135.883752
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -333.093864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.093864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.093864 (E_RNA)
where:
Base-Base interactions energy: -199.509
where: short stacking energy: -98.652
Base-Backbone interact. energy: -1.647
local terms energy: -131.937744
where:
bonds (distance) C4'-P energy: -28.872
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -37.967
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -358.102386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.102386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.102386 (E_RNA)
where:
Base-Base interactions energy: -227.126
where: short stacking energy: -101.800
Base-Backbone interact. energy: -0.332
local terms energy: -132.208016
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -17.760
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: 1.563 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -319.452583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.452583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.452583 (E_RNA)
where:
Base-Base interactions energy: -195.258
where: short stacking energy: -72.417
Base-Backbone interact. energy: -1.976
local terms energy: -122.218017
where:
bonds (distance) C4'-P energy: -31.843
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -302.971900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.971900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.971900 (E_RNA)
where:
Base-Base interactions energy: -192.199
where: short stacking energy: -90.704
Base-Backbone interact. energy: -1.644
local terms energy: -109.129661
where:
bonds (distance) C4'-P energy: -27.422
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -25.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -175.263931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.263931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.263931 (E_RNA)
where:
Base-Base interactions energy: -65.657
where: short stacking energy: -63.595
Base-Backbone interact. energy: 0.424
local terms energy: -110.031211
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -31.366
flat angles C4'-P-C4' energy: -29.299
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: 1.652
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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -594.538445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.538445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.538445 (E_RNA)
where:
Base-Base interactions energy: -411.368
where: short stacking energy: -160.551
Base-Backbone interact. energy: -0.335
local terms energy: -182.835703
where:
bonds (distance) C4'-P energy: -38.563
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -46.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -595.392028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.392028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.392028 (E_RNA)
where:
Base-Base interactions energy: -412.466
where: short stacking energy: -168.974
Base-Backbone interact. energy: -0.830
local terms energy: -182.095319
where:
bonds (distance) C4'-P energy: -34.759
bonds (distance) P-C4' energy: -35.959
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -26.817
tors. eta vs tors. theta energy: -49.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -534.311538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.311538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.311538 (E_RNA)
where:
Base-Base interactions energy: -362.177
where: short stacking energy: -137.783
Base-Backbone interact. energy: -0.121
local terms energy: -172.013763
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -36.802
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -41.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -522.542537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.542537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.542537 (E_RNA)
where:
Base-Base interactions energy: -346.552
where: short stacking energy: -139.381
Base-Backbone interact. energy: -1.184
local terms energy: -174.806384
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -38.975
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -28.327
tors. eta vs tors. theta energy: -38.624
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: 318
Temperature: 1.100000
Total energy: -324.108468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.108468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.108468 (E_RNA)
where:
Base-Base interactions energy: -179.510
where: short stacking energy: -91.447
Base-Backbone interact. energy: -1.056
local terms energy: -143.542761
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -36.916
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -30.456
tors. eta vs tors. theta energy: -12.957
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: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -323.053322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.053322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.053322 (E_RNA)
where:
Base-Base interactions energy: -193.733
where: short stacking energy: -94.421
Base-Backbone interact. energy: 0.394
local terms energy: -129.713943
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -35.659
flat angles C4'-P-C4' energy: -34.666
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -330.580926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.580926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.580926 (E_RNA)
where:
Base-Base interactions energy: -192.986
where: short stacking energy: -87.518
Base-Backbone interact. energy: -2.784
local terms energy: -134.811152
where:
bonds (distance) C4'-P energy: -36.457
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -327.496058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.496058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.496058 (E_RNA)
where:
Base-Base interactions energy: -198.471
where: short stacking energy: -90.083
Base-Backbone interact. energy: -0.242
local terms energy: -128.782644
where:
bonds (distance) C4'-P energy: -37.516
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -288.221214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.221214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.221214 (E_RNA)
where:
Base-Base interactions energy: -162.569
where: short stacking energy: -81.552
Base-Backbone interact. energy: 3.626
local terms energy: -129.278343
where:
bonds (distance) C4'-P energy: -32.524
bonds (distance) P-C4' energy: -35.673
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -151.898826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.898826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.898826 (E_RNA)
where:
Base-Base interactions energy: -45.290
where: short stacking energy: -41.685
Base-Backbone interact. energy: 0.506
local terms energy: -107.114912
where:
bonds (distance) C4'-P energy: -37.752
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -579.598653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.598653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.598653 (E_RNA)
where:
Base-Base interactions energy: -406.375
where: short stacking energy: -162.645
Base-Backbone interact. energy: -1.576
local terms energy: -171.647389
where:
bonds (distance) C4'-P energy: -33.793
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -43.718
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: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -582.272958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.272958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.272958 (E_RNA)
where:
Base-Base interactions energy: -397.878
where: short stacking energy: -162.567
Base-Backbone interact. energy: -1.289
local terms energy: -183.106856
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -42.228
flat angles C4'-P-C4' energy: -37.812
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -46.095
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: 319
Temperature: 1.000000
Total energy: -547.754451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.754451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.754451 (E_RNA)
where:
Base-Base interactions energy: -383.961
where: short stacking energy: -155.441
Base-Backbone interact. energy: -2.097
local terms energy: -161.695989
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -41.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -518.148278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.148278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.148278 (E_RNA)
where:
Base-Base interactions energy: -350.403
where: short stacking energy: -130.603
Base-Backbone interact. energy: 0.096
local terms energy: -167.840994
where:
bonds (distance) C4'-P energy: -33.535
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -37.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -342.440173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.440173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.440173 (E_RNA)
where:
Base-Base interactions energy: -199.622
where: short stacking energy: -107.993
Base-Backbone interact. energy: -0.488
local terms energy: -142.329513
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -35.713
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -21.919
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: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -342.530742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.530742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.530742 (E_RNA)
where:
Base-Base interactions energy: -208.289
where: short stacking energy: -97.707
Base-Backbone interact. energy: -1.978
local terms energy: -132.263769
where:
bonds (distance) C4'-P energy: -32.881
bonds (distance) P-C4' energy: -32.351
flat angles C4'-P-C4' energy: -34.616
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -12.399
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: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -314.912818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.912818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.912818 (E_RNA)
where:
Base-Base interactions energy: -182.207
where: short stacking energy: -89.304
Base-Backbone interact. energy: -0.364
local terms energy: -132.342305
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -336.066282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.066282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.066282 (E_RNA)
where:
Base-Base interactions energy: -195.914
where: short stacking energy: -89.589
Base-Backbone interact. energy: 0.138
local terms energy: -140.290400
where:
bonds (distance) C4'-P energy: -36.814
bonds (distance) P-C4' energy: -40.583
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -13.111
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: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -295.820454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.820454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.820454 (E_RNA)
where:
Base-Base interactions energy: -185.144
where: short stacking energy: -94.431
Base-Backbone interact. energy: -0.553
local terms energy: -110.123361
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -154.590313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.590313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.590313 (E_RNA)
where:
Base-Base interactions energy: -50.671
where: short stacking energy: -49.007
Base-Backbone interact. energy: -0.569
local terms energy: -103.350809
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: 9.464
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: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -598.080210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.080210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.080210 (E_RNA)
where:
Base-Base interactions energy: -430.770
where: short stacking energy: -183.296
Base-Backbone interact. energy: -2.220
local terms energy: -165.090363
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -22.758
tors. eta vs tors. theta energy: -44.781
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: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -575.742666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.742666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.742666 (E_RNA)
where:
Base-Base interactions energy: -396.315
where: short stacking energy: -162.414
Base-Backbone interact. energy: -1.462
local terms energy: -180.996929
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -40.045
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -41.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.032 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -531.127121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.127121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.127121 (E_RNA)
where:
Base-Base interactions energy: -372.076
where: short stacking energy: -140.833
Base-Backbone interact. energy: -3.152
local terms energy: -155.898651
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -26.048
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -37.787
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: 320
Temperature: 1.050000
Total energy: -508.682395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.682395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.682395 (E_RNA)
where:
Base-Base interactions energy: -336.539
where: short stacking energy: -130.566
Base-Backbone interact. energy: -0.602
local terms energy: -171.542236
where:
bonds (distance) C4'-P energy: -36.786
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -21.582
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: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -402.870776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.870776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.870776 (E_RNA)
where:
Base-Base interactions energy: -260.870
where: short stacking energy: -118.185
Base-Backbone interact. energy: 0.086
local terms energy: -142.953223
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -33.261
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -29.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.866 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -350.862485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.862485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.862485 (E_RNA)
where:
Base-Base interactions energy: -207.042
where: short stacking energy: -106.675
Base-Backbone interact. energy: -0.399
local terms energy: -143.421230
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -27.210
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: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -345.700605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.700605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.700605 (E_RNA)
where:
Base-Base interactions energy: -214.427
where: short stacking energy: -114.727
Base-Backbone interact. energy: -0.413
local terms energy: -130.860962
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -31.835
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -318.111554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.111554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.111554 (E_RNA)
where:
Base-Base interactions energy: -196.149
where: short stacking energy: -86.848
Base-Backbone interact. energy: -1.149
local terms energy: -120.813504
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -34.665
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: -15.542
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: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -301.547363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.547363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.547363 (E_RNA)
where:
Base-Base interactions energy: -178.381
where: short stacking energy: -71.586
Base-Backbone interact. energy: 3.173
local terms energy: -126.339173
where:
bonds (distance) C4'-P energy: -32.107
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -11.753
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: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -149.587362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.587362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.587362 (E_RNA)
where:
Base-Base interactions energy: -70.979
where: short stacking energy: -45.552
Base-Backbone interact. energy: 0.964
local terms energy: -80.561048
where:
bonds (distance) C4'-P energy: -32.020
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: 9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.989 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -591.937868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.937868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.937868 (E_RNA)
where:
Base-Base interactions energy: -415.090
where: short stacking energy: -166.214
Base-Backbone interact. energy: -1.679
local terms energy: -175.168999
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -40.077
flat angles C4'-P-C4' energy: -34.631
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -42.896
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: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -587.379748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.379748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.379748 (E_RNA)
where:
Base-Base interactions energy: -417.765
where: short stacking energy: -150.483
Base-Backbone interact. energy: -2.004
local terms energy: -167.610681
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -44.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -542.613314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.613314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.613314 (E_RNA)
where:
Base-Base interactions energy: -365.790
where: short stacking energy: -143.999
Base-Backbone interact. energy: -0.755
local terms energy: -176.068692
where:
bonds (distance) C4'-P energy: -41.487
bonds (distance) P-C4' energy: -34.201
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -37.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -508.788389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.788389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.788389 (E_RNA)
where:
Base-Base interactions energy: -330.206
where: short stacking energy: -135.257
Base-Backbone interact. energy: -1.285
local terms energy: -177.297198
where:
bonds (distance) C4'-P energy: -37.885
bonds (distance) P-C4' energy: -35.264
flat angles C4'-P-C4' energy: -41.560
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: -36.445
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: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -402.597731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.597731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.597731 (E_RNA)
where:
Base-Base interactions energy: -248.340
where: short stacking energy: -102.671
Base-Backbone interact. energy: -1.242
local terms energy: -153.016118
where:
bonds (distance) C4'-P energy: -37.958
bonds (distance) P-C4' energy: -36.685
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -356.350723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.350723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.350723 (E_RNA)
where:
Base-Base interactions energy: -215.192
where: short stacking energy: -97.139
Base-Backbone interact. energy: -2.720
local terms energy: -138.438841
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -33.720
flat angles C4'-P-C4' energy: -35.412
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -13.039
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: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -321.705893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.705893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.705893 (E_RNA)
where:
Base-Base interactions energy: -187.153
where: short stacking energy: -102.883
Base-Backbone interact. energy: -0.207
local terms energy: -134.346487
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -354.001225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.001225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.001225 (E_RNA)
where:
Base-Base interactions energy: -211.081
where: short stacking energy: -101.793
Base-Backbone interact. energy: 0.211
local terms energy: -143.131794
where:
bonds (distance) C4'-P energy: -32.594
bonds (distance) P-C4' energy: -36.026
flat angles C4'-P-C4' energy: -39.588
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -21.267
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: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -297.692143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.692143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.692143 (E_RNA)
where:
Base-Base interactions energy: -169.276
where: short stacking energy: -64.848
Base-Backbone interact. energy: -1.664
local terms energy: -126.752955
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -34.304
flat angles C4'-P-C4' energy: -28.877
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -167.337636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.337636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.337636 (E_RNA)
where:
Base-Base interactions energy: -76.159
where: short stacking energy: -60.734
Base-Backbone interact. energy: 4.924
local terms energy: -97.078159
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: 3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.975 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -583.584625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.584625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.584625 (E_RNA)
where:
Base-Base interactions energy: -418.184
where: short stacking energy: -155.457
Base-Backbone interact. energy: 0.205
local terms energy: -166.116098
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -36.368
flat angles C4'-P-C4' energy: -38.808
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -43.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.511 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -573.062713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.062713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.062713 (E_RNA)
where:
Base-Base interactions energy: -407.504
where: short stacking energy: -162.774
Base-Backbone interact. energy: -2.001
local terms energy: -163.558058
where:
bonds (distance) C4'-P energy: -32.006
bonds (distance) P-C4' energy: -31.274
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -43.558
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: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -549.058408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.058408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.058408 (E_RNA)
where:
Base-Base interactions energy: -368.058
where: short stacking energy: -148.930
Base-Backbone interact. energy: -1.251
local terms energy: -179.749481
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -41.095
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -42.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -511.154155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.154155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.154155 (E_RNA)
where:
Base-Base interactions energy: -345.264
where: short stacking energy: -136.633
Base-Backbone interact. energy: -1.056
local terms energy: -164.834040
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -39.926
flat angles P-C4'-P energy: -26.791
tors. eta vs tors. theta energy: -36.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -373.570138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.570138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.570138 (E_RNA)
where:
Base-Base interactions energy: -236.313
where: short stacking energy: -94.325
Base-Backbone interact. energy: 0.877
local terms energy: -138.134010
where:
bonds (distance) C4'-P energy: -35.394
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -356.940382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.940382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.940382 (E_RNA)
where:
Base-Base interactions energy: -226.273
where: short stacking energy: -99.604
Base-Backbone interact. energy: -0.832
local terms energy: -132.119211
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -31.786
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.284 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -320.267192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.267192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.267192 (E_RNA)
where:
Base-Base interactions energy: -184.361
where: short stacking energy: -87.207
Base-Backbone interact. energy: -0.242
local terms energy: -135.664388
where:
bonds (distance) C4'-P energy: -30.204
bonds (distance) P-C4' energy: -34.654
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -15.956
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: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -331.273845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.273845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.273845 (E_RNA)
where:
Base-Base interactions energy: -200.562
where: short stacking energy: -83.876
Base-Backbone interact. energy: 0.454
local terms energy: -131.166266
where:
bonds (distance) C4'-P energy: -29.597
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -21.255
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -312.892989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.892989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.892989 (E_RNA)
where:
Base-Base interactions energy: -202.494
where: short stacking energy: -88.370
Base-Backbone interact. energy: -0.848
local terms energy: -109.550742
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -153.345916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.345916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.345916 (E_RNA)
where:
Base-Base interactions energy: -54.903
where: short stacking energy: -46.052
Base-Backbone interact. energy: -0.795
local terms energy: -97.648058
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -33.289
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: 12.865
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: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -593.457065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.457065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.457065 (E_RNA)
where:
Base-Base interactions energy: -415.359
where: short stacking energy: -163.990
Base-Backbone interact. energy: -0.372
local terms energy: -177.726938
where:
bonds (distance) C4'-P energy: -30.066
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -38.872
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -48.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -540.760726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.760726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.760726 (E_RNA)
where:
Base-Base interactions energy: -370.664
where: short stacking energy: -148.858
Base-Backbone interact. energy: -0.959
local terms energy: -169.138240
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: -35.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -569.185750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.185750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.185750 (E_RNA)
where:
Base-Base interactions energy: -392.754
where: short stacking energy: -138.856
Base-Backbone interact. energy: -1.551
local terms energy: -174.880803
where:
bonds (distance) C4'-P energy: -35.411
bonds (distance) P-C4' energy: -30.557
flat angles C4'-P-C4' energy: -39.524
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -46.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -386.155131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.155131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.155131 (E_RNA)
where:
Base-Base interactions energy: -237.771
where: short stacking energy: -84.326
Base-Backbone interact. energy: -0.080
local terms energy: -148.303904
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -37.089
flat angles C4'-P-C4' energy: -35.181
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -21.403
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: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -493.094197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.094197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.094197 (E_RNA)
where:
Base-Base interactions energy: -345.008
where: short stacking energy: -123.174
Base-Backbone interact. energy: -1.105
local terms energy: -146.980638
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -31.325
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: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -332.372428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.372428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.372428 (E_RNA)
where:
Base-Base interactions energy: -202.001
where: short stacking energy: -100.576
Base-Backbone interact. energy: -1.242
local terms energy: -129.129584
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -35.349
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -330.167847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.167847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.167847 (E_RNA)
where:
Base-Base interactions energy: -185.133
where: short stacking energy: -89.599
Base-Backbone interact. energy: -1.027
local terms energy: -144.007063
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -41.265
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -24.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -299.828336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.828336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.828336 (E_RNA)
where:
Base-Base interactions energy: -176.654
where: short stacking energy: -84.742
Base-Backbone interact. energy: 0.277
local terms energy: -123.451685
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -290.300558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.300558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.300558 (E_RNA)
where:
Base-Base interactions energy: -162.566
where: short stacking energy: -81.661
Base-Backbone interact. energy: -2.369
local terms energy: -125.365150
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -27.911
tors. eta vs tors. theta energy: -14.636
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: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -154.615074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.615074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.615074 (E_RNA)
where:
Base-Base interactions energy: -62.208
where: short stacking energy: -47.594
Base-Backbone interact. energy: 3.577
local terms energy: -95.983644
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -38.783
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -598.922211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.922211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.922211 (E_RNA)
where:
Base-Base interactions energy: -409.135
where: short stacking energy: -157.808
Base-Backbone interact. energy: -1.483
local terms energy: -188.303541
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -26.118
tors. eta vs tors. theta energy: -45.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -527.357790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.357790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.357790 (E_RNA)
where:
Base-Base interactions energy: -364.985
where: short stacking energy: -149.458
Base-Backbone interact. energy: -2.004
local terms energy: -160.369323
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -31.845
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -26.839
tors. eta vs tors. theta energy: -31.495
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: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -566.852914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.852914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.852914 (E_RNA)
where:
Base-Base interactions energy: -386.397
where: short stacking energy: -155.555
Base-Backbone interact. energy: -1.072
local terms energy: -179.383477
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -36.658
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -50.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -411.992609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.992609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.992609 (E_RNA)
where:
Base-Base interactions energy: -255.590
where: short stacking energy: -129.000
Base-Backbone interact. energy: -1.752
local terms energy: -154.651368
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -33.750
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -35.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -484.772873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.772873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.772873 (E_RNA)
where:
Base-Base interactions energy: -325.665
where: short stacking energy: -121.166
Base-Backbone interact. energy: -0.392
local terms energy: -158.716057
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -38.229
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -27.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -332.641524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.641524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.641524 (E_RNA)
where:
Base-Base interactions energy: -199.643
where: short stacking energy: -85.798
Base-Backbone interact. energy: 2.262
local terms energy: -135.261198
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -303.040331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.040331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.040331 (E_RNA)
where:
Base-Base interactions energy: -185.291
where: short stacking energy: -79.929
Base-Backbone interact. energy: -1.750
local terms energy: -115.999695
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -294.565646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.565646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.565646 (E_RNA)
where:
Base-Base interactions energy: -183.198
where: short stacking energy: -80.412
Base-Backbone interact. energy: 1.865
local terms energy: -113.286758
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -307.064384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.064384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.064384 (E_RNA)
where:
Base-Base interactions energy: -196.285
where: short stacking energy: -87.695
Base-Backbone interact. energy: 1.840
local terms energy: -112.619291
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -27.601
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -11.392
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: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -157.749267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.749267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.749267 (E_RNA)
where:
Base-Base interactions energy: -62.436
where: short stacking energy: -53.884
Base-Backbone interact. energy: 0.144
local terms energy: -95.457991
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: 5.514
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: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -588.033267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.033267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.033267 (E_RNA)
where:
Base-Base interactions energy: -404.612
where: short stacking energy: -159.660
Base-Backbone interact. energy: -1.048
local terms energy: -182.373789
where:
bonds (distance) C4'-P energy: -38.238
bonds (distance) P-C4' energy: -38.346
flat angles C4'-P-C4' energy: -38.868
flat angles P-C4'-P energy: -26.159
tors. eta vs tors. theta energy: -40.761
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: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -579.074679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.074679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.074679 (E_RNA)
where:
Base-Base interactions energy: -399.931
where: short stacking energy: -161.387
Base-Backbone interact. energy: -0.843
local terms energy: -178.301035
where:
bonds (distance) C4'-P energy: -33.580
bonds (distance) P-C4' energy: -35.343
flat angles C4'-P-C4' energy: -32.427
flat angles P-C4'-P energy: -29.553
tors. eta vs tors. theta energy: -47.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -513.499230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.499230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.499230 (E_RNA)
where:
Base-Base interactions energy: -340.421
where: short stacking energy: -131.389
Base-Backbone interact. energy: -1.172
local terms energy: -172.904035
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -37.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.998 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -495.224570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.224570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.224570 (E_RNA)
where:
Base-Base interactions energy: -329.912
where: short stacking energy: -130.470
Base-Backbone interact. energy: -1.096
local terms energy: -164.216951
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -39.218
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -34.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -406.543109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.543109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.543109 (E_RNA)
where:
Base-Base interactions energy: -248.874
where: short stacking energy: -127.437
Base-Backbone interact. energy: -1.468
local terms energy: -156.201267
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -36.416
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -35.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -371.659149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.659149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.659149 (E_RNA)
where:
Base-Base interactions energy: -233.906
where: short stacking energy: -103.869
Base-Backbone interact. energy: -0.620
local terms energy: -137.133087
where:
bonds (distance) C4'-P energy: -30.094
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -27.925
tors. eta vs tors. theta energy: -20.450
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: 325
Temperature: 1.200000
Total energy: -330.350630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.350630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.350630 (E_RNA)
where:
Base-Base interactions energy: -208.386
where: short stacking energy: -102.100
Base-Backbone interact. energy: -0.773
local terms energy: -121.191041
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -30.732
flat angles C4'-P-C4' energy: -34.365
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -14.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -315.029222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.029222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.029222 (E_RNA)
where:
Base-Base interactions energy: -187.912
where: short stacking energy: -85.085
Base-Backbone interact. energy: 0.385
local terms energy: -127.501651
where:
bonds (distance) C4'-P energy: -32.843
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -291.976107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.976107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.976107 (E_RNA)
where:
Base-Base interactions energy: -175.836
where: short stacking energy: -75.981
Base-Backbone interact. energy: -0.685
local terms energy: -115.455484
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -27.390
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -16.447
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: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -157.680511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.680511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.680511 (E_RNA)
where:
Base-Base interactions energy: -53.858
where: short stacking energy: -53.958
Base-Backbone interact. energy: 0.639
local terms energy: -104.461120
where:
bonds (distance) C4'-P energy: -34.395
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -0.658
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: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -577.523460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.523460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.523460 (E_RNA)
where:
Base-Base interactions energy: -405.347
where: short stacking energy: -154.915
Base-Backbone interact. energy: -0.917
local terms energy: -171.259437
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -39.530
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -39.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -573.591723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.591723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.591723 (E_RNA)
where:
Base-Base interactions energy: -402.285
where: short stacking energy: -154.382
Base-Backbone interact. energy: -0.247
local terms energy: -171.059597
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -33.583
flat angles C4'-P-C4' energy: -37.504
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -45.871
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: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -513.590657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.590657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.590657 (E_RNA)
where:
Base-Base interactions energy: -358.175
where: short stacking energy: -140.123
Base-Backbone interact. energy: -1.925
local terms energy: -153.490193
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -37.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -498.331389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.331389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.331389 (E_RNA)
where:
Base-Base interactions energy: -332.254
where: short stacking energy: -136.536
Base-Backbone interact. energy: 0.219
local terms energy: -166.296422
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -36.434
flat angles C4'-P-C4' energy: -36.702
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -37.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -367.253199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.253199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.253199 (E_RNA)
where:
Base-Base interactions energy: -224.360
where: short stacking energy: -108.568
Base-Backbone interact. energy: 0.272
local terms energy: -143.165010
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -40.027
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -343.603905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.603905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.603905 (E_RNA)
where:
Base-Base interactions energy: -214.155
where: short stacking energy: -98.728
Base-Backbone interact. energy: -0.508
local terms energy: -128.978260
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -32.845
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.038 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -325.499414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.499414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.499414 (E_RNA)
where:
Base-Base interactions energy: -176.153
where: short stacking energy: -94.153
Base-Backbone interact. energy: -0.542
local terms energy: -149.344568
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -27.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.540 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -320.884073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.884073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.884073 (E_RNA)
where:
Base-Base interactions energy: -184.627
where: short stacking energy: -83.547
Base-Backbone interact. energy: -0.834
local terms energy: -135.423732
where:
bonds (distance) C4'-P energy: -30.803
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -27.832
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -21.599
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: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -306.159176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.159176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.159176 (E_RNA)
where:
Base-Base interactions energy: -182.226
where: short stacking energy: -94.205
Base-Backbone interact. energy: -0.016
local terms energy: -123.917982
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -33.523
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -155.323165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.323165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.323165 (E_RNA)
where:
Base-Base interactions energy: -60.482
where: short stacking energy: -43.127
Base-Backbone interact. energy: 3.754
local terms energy: -98.595049
where:
bonds (distance) C4'-P energy: -32.019
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -31.144
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: 10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -602.828283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.828283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.828283 (E_RNA)
where:
Base-Base interactions energy: -419.857
where: short stacking energy: -156.873
Base-Backbone interact. energy: -0.768
local terms energy: -182.203421
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -37.898
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -49.436
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: 327
Temperature: 0.950000
Total energy: -594.185030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.185030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.185030 (E_RNA)
where:
Base-Base interactions energy: -417.941
where: short stacking energy: -168.012
Base-Backbone interact. energy: -1.680
local terms energy: -174.563952
where:
bonds (distance) C4'-P energy: -39.011
bonds (distance) P-C4' energy: -31.781
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -47.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -526.775373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.775373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.775373 (E_RNA)
where:
Base-Base interactions energy: -373.257
where: short stacking energy: -143.306
Base-Backbone interact. energy: 0.365
local terms energy: -153.883622
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -31.622
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: -36.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -483.914059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.914059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.914059 (E_RNA)
where:
Base-Base interactions energy: -324.896
where: short stacking energy: -123.179
Base-Backbone interact. energy: -0.758
local terms energy: -158.260279
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -37.173
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -25.023
tors. eta vs tors. theta energy: -33.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -365.680676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.680676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.680676 (E_RNA)
where:
Base-Base interactions energy: -204.800
where: short stacking energy: -106.843
Base-Backbone interact. energy: -0.657
local terms energy: -160.223402
where:
bonds (distance) C4'-P energy: -36.809
bonds (distance) P-C4' energy: -36.960
flat angles C4'-P-C4' energy: -34.041
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: -29.898
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -355.734483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.734483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.734483 (E_RNA)
where:
Base-Base interactions energy: -216.374
where: short stacking energy: -114.554
Base-Backbone interact. energy: -0.164
local terms energy: -139.196241
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -30.721
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -25.801
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: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -321.963347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.963347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.963347 (E_RNA)
where:
Base-Base interactions energy: -184.569
where: short stacking energy: -103.927
Base-Backbone interact. energy: 0.154
local terms energy: -137.548748
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -340.672478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.672478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.672478 (E_RNA)
where:
Base-Base interactions energy: -226.784
where: short stacking energy: -106.785
Base-Backbone interact. energy: -1.908
local terms energy: -113.774353
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.794 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -299.611863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.611863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.611863 (E_RNA)
where:
Base-Base interactions energy: -172.938
where: short stacking energy: -80.580
Base-Backbone interact. energy: -1.099
local terms energy: -125.574306
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -181.942295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.942295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.942295 (E_RNA)
where:
Base-Base interactions energy: -77.800
where: short stacking energy: -55.712
Base-Backbone interact. energy: -0.433
local terms energy: -103.709249
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -600.360105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.360105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.360105 (E_RNA)
where:
Base-Base interactions energy: -413.661
where: short stacking energy: -158.610
Base-Backbone interact. energy: 0.638
local terms energy: -187.336496
where:
bonds (distance) C4'-P energy: -35.592
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -38.976
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -52.126
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: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -585.771301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.771301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.771301 (E_RNA)
where:
Base-Base interactions energy: -407.789
where: short stacking energy: -168.133
Base-Backbone interact. energy: 0.546
local terms energy: -179.099991
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -37.493
flat angles P-C4'-P energy: -28.918
tors. eta vs tors. theta energy: -48.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.572 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -499.940207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.940207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.940207 (E_RNA)
where:
Base-Base interactions energy: -343.410
where: short stacking energy: -133.077
Base-Backbone interact. energy: -0.555
local terms energy: -155.974452
where:
bonds (distance) C4'-P energy: -35.074
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -33.427
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: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -531.597613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.597613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.597613 (E_RNA)
where:
Base-Base interactions energy: -355.931
where: short stacking energy: -142.728
Base-Backbone interact. energy: -1.895
local terms energy: -173.771252
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -39.295
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -39.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -361.259595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.259595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.259595 (E_RNA)
where:
Base-Base interactions energy: -212.728
where: short stacking energy: -99.563
Base-Backbone interact. energy: -0.348
local terms energy: -148.182945
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -39.685
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -342.377768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.377768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.377768 (E_RNA)
where:
Base-Base interactions energy: -194.771
where: short stacking energy: -97.712
Base-Backbone interact. energy: -0.882
local terms energy: -146.724604
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -21.434
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -340.311630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.311630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.311630 (E_RNA)
where:
Base-Base interactions energy: -201.252
where: short stacking energy: -83.987
Base-Backbone interact. energy: -0.713
local terms energy: -139.692235
where:
bonds (distance) C4'-P energy: -30.326
bonds (distance) P-C4' energy: -40.263
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.346 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -306.974564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.974564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.974564 (E_RNA)
where:
Base-Base interactions energy: -197.396
where: short stacking energy: -94.609
Base-Backbone interact. energy: -0.927
local terms energy: -108.651337
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -21.076
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -166.393394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.393394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.393394 (E_RNA)
where:
Base-Base interactions energy: -73.140
where: short stacking energy: -57.024
Base-Backbone interact. energy: -1.297
local terms energy: -92.153631
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -28.037
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -15.755
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: 0.197 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -248.391294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.391294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.391294 (E_RNA)
where:
Base-Base interactions energy: -144.342
where: short stacking energy: -66.695
Base-Backbone interact. energy: -0.865
local terms energy: -103.184623
where:
bonds (distance) C4'-P energy: -29.155
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -603.859436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.859436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.859436 (E_RNA)
where:
Base-Base interactions energy: -417.784
where: short stacking energy: -158.930
Base-Backbone interact. energy: -2.598
local terms energy: -183.477311
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -50.686
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: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -528.951278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.951278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.951278 (E_RNA)
where:
Base-Base interactions energy: -369.800
where: short stacking energy: -143.750
Base-Backbone interact. energy: -0.397
local terms energy: -158.753909
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -27.825
tors. eta vs tors. theta energy: -33.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -565.273579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.273579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.273579 (E_RNA)
where:
Base-Base interactions energy: -396.384
where: short stacking energy: -160.278
Base-Backbone interact. energy: -0.497
local terms energy: -168.393268
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -34.967
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -45.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -534.588515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.588515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.588515 (E_RNA)
where:
Base-Base interactions energy: -363.579
where: short stacking energy: -141.796
Base-Backbone interact. energy: -0.811
local terms energy: -170.197954
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -39.686
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -39.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -383.601266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.601266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.601266 (E_RNA)
where:
Base-Base interactions energy: -249.567
where: short stacking energy: -116.644
Base-Backbone interact. energy: -0.107
local terms energy: -136.138958
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -25.683
flat angles C4'-P-C4' energy: -26.947
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -31.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.212 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -372.572242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.572242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.572242 (E_RNA)
where:
Base-Base interactions energy: -217.146
where: short stacking energy: -115.498
Base-Backbone interact. energy: -1.610
local terms energy: -153.815607
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -39.210
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -32.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -312.225155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.225155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.225155 (E_RNA)
where:
Base-Base interactions energy: -186.403
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.091
local terms energy: -125.730989
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -28.040
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -320.454221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.454221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.454221 (E_RNA)
where:
Base-Base interactions energy: -207.667
where: short stacking energy: -94.335
Base-Backbone interact. energy: -0.638
local terms energy: -112.149753
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -32.398
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -184.219212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.219212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.219212 (E_RNA)
where:
Base-Base interactions energy: -65.726
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.402
local terms energy: -118.596121
where:
bonds (distance) C4'-P energy: -33.805
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.505 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -241.730276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.730276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.730276 (E_RNA)
where:
Base-Base interactions energy: -147.410
where: short stacking energy: -70.040
Base-Backbone interact. energy: 4.189
local terms energy: -98.508660
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -610.076277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.076277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.076277 (E_RNA)
where:
Base-Base interactions energy: -428.610
where: short stacking energy: -165.297
Base-Backbone interact. energy: -0.768
local terms energy: -180.698759
where:
bonds (distance) C4'-P energy: -40.846
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -49.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -552.691196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.691196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.691196 (E_RNA)
where:
Base-Base interactions energy: -374.439
where: short stacking energy: -158.172
Base-Backbone interact. energy: -0.690
local terms energy: -177.562477
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -35.525
flat angles P-C4'-P energy: -28.813
tors. eta vs tors. theta energy: -39.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -557.356037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.356037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.356037 (E_RNA)
where:
Base-Base interactions energy: -396.223
where: short stacking energy: -157.874
Base-Backbone interact. energy: -0.414
local terms energy: -160.719534
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -34.945
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -23.856
tors. eta vs tors. theta energy: -45.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -522.982550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.982550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.982550 (E_RNA)
where:
Base-Base interactions energy: -354.055
where: short stacking energy: -148.233
Base-Backbone interact. energy: 0.155
local terms energy: -169.082526
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -38.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -383.311255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.311255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.311255 (E_RNA)
where:
Base-Base interactions energy: -225.591
where: short stacking energy: -105.792
Base-Backbone interact. energy: 1.214
local terms energy: -158.934491
where:
bonds (distance) C4'-P energy: -28.206
bonds (distance) P-C4' energy: -39.351
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -26.904
tors. eta vs tors. theta energy: -33.507
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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -367.952433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.952433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.952433 (E_RNA)
where:
Base-Base interactions energy: -227.674
where: short stacking energy: -108.100
Base-Backbone interact. energy: -1.242
local terms energy: -139.035878
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -22.806
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: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -328.852307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.852307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.852307 (E_RNA)
where:
Base-Base interactions energy: -198.475
where: short stacking energy: -96.683
Base-Backbone interact. energy: -0.388
local terms energy: -132.309611
where:
bonds (distance) C4'-P energy: -26.753
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.321 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -300.612128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.612128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.612128 (E_RNA)
where:
Base-Base interactions energy: -166.731
where: short stacking energy: -78.808
Base-Backbone interact. energy: 0.236
local terms energy: -134.117161
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -39.512
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -291.970474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.970474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.970474 (E_RNA)
where:
Base-Base interactions energy: -174.684
where: short stacking energy: -72.851
Base-Backbone interact. energy: -0.917
local terms energy: -116.976457
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -37.233
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.607 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -157.219149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.219149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.219149 (E_RNA)
where:
Base-Base interactions energy: -57.246
where: short stacking energy: -46.975
Base-Backbone interact. energy: -0.992
local terms energy: -99.339325
where:
bonds (distance) C4'-P energy: -28.857
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -29.466
flat angles P-C4'-P energy: -13.785
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: 0.358 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -596.489500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.489500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.489500 (E_RNA)
where:
Base-Base interactions energy: -411.682
where: short stacking energy: -155.493
Base-Backbone interact. energy: 3.022
local terms energy: -187.829178
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -38.281
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -47.455
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -589.120763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.120763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.120763 (E_RNA)
where:
Base-Base interactions energy: -417.691
where: short stacking energy: -166.792
Base-Backbone interact. energy: 2.420
local terms energy: -173.849109
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -24.261
tors. eta vs tors. theta energy: -47.613
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: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -534.328711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.328711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.328711 (E_RNA)
where:
Base-Base interactions energy: -363.524
where: short stacking energy: -148.725
Base-Backbone interact. energy: -0.252
local terms energy: -170.553140
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -34.409
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -26.414
tors. eta vs tors. theta energy: -40.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -536.098873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.098873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.098873 (E_RNA)
where:
Base-Base interactions energy: -357.624
where: short stacking energy: -146.434
Base-Backbone interact. energy: -1.026
local terms energy: -177.448922
where:
bonds (distance) C4'-P energy: -39.902
bonds (distance) P-C4' energy: -36.778
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -47.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -389.151116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.151116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.151116 (E_RNA)
where:
Base-Base interactions energy: -260.047
where: short stacking energy: -100.732
Base-Backbone interact. energy: -1.443
local terms energy: -127.661420
where:
bonds (distance) C4'-P energy: -25.925
bonds (distance) P-C4' energy: -26.363
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -22.523
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: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -348.419540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.419540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.419540 (E_RNA)
where:
Base-Base interactions energy: -222.674
where: short stacking energy: -101.471
Base-Backbone interact. energy: -1.060
local terms energy: -124.685092
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -363.603964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.603964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.603964 (E_RNA)
where:
Base-Base interactions energy: -216.324
where: short stacking energy: -95.637
Base-Backbone interact. energy: 1.409
local terms energy: -148.688146
where:
bonds (distance) C4'-P energy: -35.933
bonds (distance) P-C4' energy: -35.491
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -18.425
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: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -319.848567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.848567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.848567 (E_RNA)
where:
Base-Base interactions energy: -186.633
where: short stacking energy: -87.457
Base-Backbone interact. energy: -1.000
local terms energy: -132.215653
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -34.808
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -11.369
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: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -288.123302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.123302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.123302 (E_RNA)
where:
Base-Base interactions energy: -175.913
where: short stacking energy: -80.862
Base-Backbone interact. energy: 0.519
local terms energy: -112.729296
where:
bonds (distance) C4'-P energy: -36.256
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -9.611
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: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -148.360868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.360868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.360868 (E_RNA)
where:
Base-Base interactions energy: -46.902
where: short stacking energy: -42.571
Base-Backbone interact. energy: -0.538
local terms energy: -100.921306
where:
bonds (distance) C4'-P energy: -31.530
bonds (distance) P-C4' energy: -34.308
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: 5.492
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: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -603.512851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.512851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.512851 (E_RNA)
where:
Base-Base interactions energy: -415.521
where: short stacking energy: -168.774
Base-Backbone interact. energy: -1.488
local terms energy: -186.504470
where:
bonds (distance) C4'-P energy: -37.518
bonds (distance) P-C4' energy: -39.168
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -51.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -594.331070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.331070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.331070 (E_RNA)
where:
Base-Base interactions energy: -413.202
where: short stacking energy: -156.768
Base-Backbone interact. energy: -0.471
local terms energy: -180.657969
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -37.437
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -23.923
tors. eta vs tors. theta energy: -47.976
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: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -530.690368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.690368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.690368 (E_RNA)
where:
Base-Base interactions energy: -352.358
where: short stacking energy: -144.167
Base-Backbone interact. energy: -0.383
local terms energy: -177.948883
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -34.785
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: -42.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -524.209462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.209462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.209462 (E_RNA)
where:
Base-Base interactions energy: -349.580
where: short stacking energy: -141.940
Base-Backbone interact. energy: -0.196
local terms energy: -174.434273
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -41.158
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -383.976520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.976520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.976520 (E_RNA)
where:
Base-Base interactions energy: -236.720
where: short stacking energy: -111.159
Base-Backbone interact. energy: -0.246
local terms energy: -147.010089
where:
bonds (distance) C4'-P energy: -29.542
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -32.365
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: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -346.986490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.986490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.986490 (E_RNA)
where:
Base-Base interactions energy: -209.678
where: short stacking energy: -90.627
Base-Backbone interact. energy: -2.557
local terms energy: -136.430832
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -38.911
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.679 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -360.608939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.608939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.608939 (E_RNA)
where:
Base-Base interactions energy: -222.757
where: short stacking energy: -107.218
Base-Backbone interact. energy: 4.611
local terms energy: -142.462918
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -27.984
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -307.218489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.218489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.218489 (E_RNA)
where:
Base-Base interactions energy: -185.583
where: short stacking energy: -77.469
Base-Backbone interact. energy: 0.728
local terms energy: -122.363594
where:
bonds (distance) C4'-P energy: -31.711
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -294.716251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.716251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.716251 (E_RNA)
where:
Base-Base interactions energy: -169.856
where: short stacking energy: -77.959
Base-Backbone interact. energy: 1.518
local terms energy: -126.377994
where:
bonds (distance) C4'-P energy: -30.262
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -17.120
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: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -156.988983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.988983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.988983 (E_RNA)
where:
Base-Base interactions energy: -65.760
where: short stacking energy: -53.733
Base-Backbone interact. energy: -0.448
local terms energy: -90.910297
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -26.654
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.129 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -601.398351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.398351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.398351 (E_RNA)
where:
Base-Base interactions energy: -414.207
where: short stacking energy: -154.015
Base-Backbone interact. energy: -2.527
local terms energy: -184.665079
where:
bonds (distance) C4'-P energy: -35.817
bonds (distance) P-C4' energy: -35.836
flat angles C4'-P-C4' energy: -40.913
flat angles P-C4'-P energy: -28.090
tors. eta vs tors. theta energy: -44.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -585.506906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.506906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.506906 (E_RNA)
where:
Base-Base interactions energy: -417.995
where: short stacking energy: -163.213
Base-Backbone interact. energy: 0.235
local terms energy: -167.746823
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -36.011
flat angles P-C4'-P energy: -23.748
tors. eta vs tors. theta energy: -42.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -521.764334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.764334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.764334 (E_RNA)
where:
Base-Base interactions energy: -352.494
where: short stacking energy: -145.989
Base-Backbone interact. energy: -0.566
local terms energy: -168.704522
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -34.989
flat angles C4'-P-C4' energy: -36.391
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -43.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -515.460032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.460032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.460032 (E_RNA)
where:
Base-Base interactions energy: -340.534
where: short stacking energy: -149.071
Base-Backbone interact. energy: -2.266
local terms energy: -172.659887
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -36.027
flat angles P-C4'-P energy: -25.593
tors. eta vs tors. theta energy: -43.178
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: 333
Temperature: 1.100000
Total energy: -392.386523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.386523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.386523 (E_RNA)
where:
Base-Base interactions energy: -243.275
where: short stacking energy: -116.926
Base-Backbone interact. energy: 0.378
local terms energy: -149.489811
where:
bonds (distance) C4'-P energy: -32.467
bonds (distance) P-C4' energy: -35.703
flat angles C4'-P-C4' energy: -34.164
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -358.897659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.897659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.897659 (E_RNA)
where:
Base-Base interactions energy: -230.901
where: short stacking energy: -100.365
Base-Backbone interact. energy: 1.499
local terms energy: -129.495260
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -31.486
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -365.276682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.276682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.276682 (E_RNA)
where:
Base-Base interactions energy: -224.233
where: short stacking energy: -97.240
Base-Backbone interact. energy: -0.406
local terms energy: -140.637424
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -25.849
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: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -298.099419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.099419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.099419 (E_RNA)
where:
Base-Base interactions energy: -165.694
where: short stacking energy: -68.230
Base-Backbone interact. energy: -1.083
local terms energy: -131.321912
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -321.856829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.856829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.856829 (E_RNA)
where:
Base-Base interactions energy: -190.262
where: short stacking energy: -69.037
Base-Backbone interact. energy: -1.469
local terms energy: -130.125867
where:
bonds (distance) C4'-P energy: -29.316
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -150.996638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.996638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.996638 (E_RNA)
where:
Base-Base interactions energy: -51.247
where: short stacking energy: -49.958
Base-Backbone interact. energy: 0.733
local terms energy: -100.482793
where:
bonds (distance) C4'-P energy: -39.154
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: 8.782
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: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -591.590418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.590418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.590418 (E_RNA)
where:
Base-Base interactions energy: -411.196
where: short stacking energy: -170.273
Base-Backbone interact. energy: 2.507
local terms energy: -182.901312
where:
bonds (distance) C4'-P energy: -37.416
bonds (distance) P-C4' energy: -35.403
flat angles C4'-P-C4' energy: -40.228
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -47.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -563.895298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.895298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.895298 (E_RNA)
where:
Base-Base interactions energy: -391.224
where: short stacking energy: -146.751
Base-Backbone interact. energy: -1.290
local terms energy: -171.381371
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -38.069
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -44.438
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: 334
Temperature: 1.000000
Total energy: -542.370811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.370811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.370811 (E_RNA)
where:
Base-Base interactions energy: -370.240
where: short stacking energy: -150.482
Base-Backbone interact. energy: -1.626
local terms energy: -170.504782
where:
bonds (distance) C4'-P energy: -30.810
bonds (distance) P-C4' energy: -36.557
flat angles C4'-P-C4' energy: -37.541
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -38.152
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: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -522.669142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.669142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.669142 (E_RNA)
where:
Base-Base interactions energy: -368.306
where: short stacking energy: -141.600
Base-Backbone interact. energy: -0.872
local terms energy: -153.491542
where:
bonds (distance) C4'-P energy: -32.581
bonds (distance) P-C4' energy: -35.091
flat angles C4'-P-C4' energy: -30.805
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -38.047
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: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -376.086130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.086130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.086130 (E_RNA)
where:
Base-Base interactions energy: -230.064
where: short stacking energy: -106.706
Base-Backbone interact. energy: -2.808
local terms energy: -143.214290
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -27.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -370.959038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.959038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.959038 (E_RNA)
where:
Base-Base interactions energy: -227.361
where: short stacking energy: -113.107
Base-Backbone interact. energy: 1.361
local terms energy: -144.958672
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -38.768
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -23.166
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: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -343.556242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.556242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.556242 (E_RNA)
where:
Base-Base interactions energy: -193.687
where: short stacking energy: -93.568
Base-Backbone interact. energy: -0.613
local terms energy: -149.256578
where:
bonds (distance) C4'-P energy: -33.348
bonds (distance) P-C4' energy: -38.085
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -299.282651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.282651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.282651 (E_RNA)
where:
Base-Base interactions energy: -179.133
where: short stacking energy: -80.372
Base-Backbone interact. energy: -0.460
local terms energy: -119.690330
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -12.189
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: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -342.323552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.323552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.323552 (E_RNA)
where:
Base-Base interactions energy: -228.703
where: short stacking energy: -100.282
Base-Backbone interact. energy: -1.547
local terms energy: -112.072991
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -16.237
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: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -166.393565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.393565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.393565 (E_RNA)
where:
Base-Base interactions energy: -55.852
where: short stacking energy: -55.516
Base-Backbone interact. energy: 0.929
local terms energy: -111.469633
where:
bonds (distance) C4'-P energy: -25.815
bonds (distance) P-C4' energy: -36.353
flat angles C4'-P-C4' energy: -27.390
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -594.776843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.776843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.776843 (E_RNA)
where:
Base-Base interactions energy: -410.225
where: short stacking energy: -156.109
Base-Backbone interact. energy: -1.644
local terms energy: -183.312477
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -35.939
flat angles C4'-P-C4' energy: -39.796
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -48.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.404 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -553.312208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.312208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.312208 (E_RNA)
where:
Base-Base interactions energy: -382.483
where: short stacking energy: -139.442
Base-Backbone interact. energy: -1.954
local terms energy: -168.875745
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -34.104
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -41.751
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: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -531.398335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.398335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.398335 (E_RNA)
where:
Base-Base interactions energy: -354.252
where: short stacking energy: -142.592
Base-Backbone interact. energy: 0.001
local terms energy: -177.147348
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -41.403
flat angles C4'-P-C4' energy: -36.222
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -40.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -541.083410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.083410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.083410 (E_RNA)
where:
Base-Base interactions energy: -373.410
where: short stacking energy: -151.555
Base-Backbone interact. energy: -0.587
local terms energy: -167.086800
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -36.975
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -39.686
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: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -391.282261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.282261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.282261 (E_RNA)
where:
Base-Base interactions energy: -240.898
where: short stacking energy: -116.764
Base-Backbone interact. energy: -2.683
local terms energy: -147.701668
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -26.460
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -32.792
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: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -312.994007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.994007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.994007 (E_RNA)
where:
Base-Base interactions energy: -176.565
where: short stacking energy: -97.265
Base-Backbone interact. energy: 0.928
local terms energy: -137.356927
where:
bonds (distance) C4'-P energy: -31.402
bonds (distance) P-C4' energy: -37.550
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -15.237
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: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -345.297816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.297816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.297816 (E_RNA)
where:
Base-Base interactions energy: -231.602
where: short stacking energy: -96.085
Base-Backbone interact. energy: -0.441
local terms energy: -113.255384
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -22.950
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -301.320909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.320909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.320909 (E_RNA)
where:
Base-Base interactions energy: -183.966
where: short stacking energy: -74.903
Base-Backbone interact. energy: 2.321
local terms energy: -119.675545
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -302.127119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.127119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.127119 (E_RNA)
where:
Base-Base interactions energy: -175.757
where: short stacking energy: -75.460
Base-Backbone interact. energy: -1.418
local terms energy: -124.952271
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -36.552
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -153.221793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.221793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.221793 (E_RNA)
where:
Base-Base interactions energy: -58.201
where: short stacking energy: -50.013
Base-Backbone interact. energy: 0.163
local terms energy: -95.272458
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -28.056
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: 5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.088 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -601.395421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.395421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.395421 (E_RNA)
where:
Base-Base interactions energy: -424.168
where: short stacking energy: -167.728
Base-Backbone interact. energy: -0.366
local terms energy: -176.861484
where:
bonds (distance) C4'-P energy: -37.136
bonds (distance) P-C4' energy: -35.620
flat angles C4'-P-C4' energy: -38.931
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -45.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -531.253663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.253663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.253663 (E_RNA)
where:
Base-Base interactions energy: -356.554
where: short stacking energy: -152.058
Base-Backbone interact. energy: -1.423
local terms energy: -173.276366
where:
bonds (distance) C4'-P energy: -37.564
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -39.256
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -43.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -525.452796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.452796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.452796 (E_RNA)
where:
Base-Base interactions energy: -350.767
where: short stacking energy: -148.509
Base-Backbone interact. energy: 2.562
local terms energy: -177.248293
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -39.592
flat angles C4'-P-C4' energy: -40.294
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -39.636
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: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -530.664969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.664969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.664969 (E_RNA)
where:
Base-Base interactions energy: -370.235
where: short stacking energy: -135.734
Base-Backbone interact. energy: -0.611
local terms energy: -159.819025
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -40.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -356.602932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.602932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.602932 (E_RNA)
where:
Base-Base interactions energy: -215.961
where: short stacking energy: -108.174
Base-Backbone interact. energy: 0.516
local terms energy: -141.158198
where:
bonds (distance) C4'-P energy: -35.869
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -30.113
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -371.163166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.163166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.163166 (E_RNA)
where:
Base-Base interactions energy: -221.174
where: short stacking energy: -101.696
Base-Backbone interact. energy: -2.113
local terms energy: -147.876204
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -40.593
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -24.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -331.411266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.411266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.411266 (E_RNA)
where:
Base-Base interactions energy: -185.984
where: short stacking energy: -82.899
Base-Backbone interact. energy: -1.307
local terms energy: -144.120131
where:
bonds (distance) C4'-P energy: -40.278
bonds (distance) P-C4' energy: -34.304
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -17.627
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: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -331.629774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.629774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.629774 (E_RNA)
where:
Base-Base interactions energy: -192.558
where: short stacking energy: -89.231
Base-Backbone interact. energy: -1.156
local terms energy: -137.915802
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -24.323
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -19.016
tors. eta vs tors. theta energy: -20.065
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: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -277.378450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.378450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.378450 (E_RNA)
where:
Base-Base interactions energy: -160.104
where: short stacking energy: -69.053
Base-Backbone interact. energy: -1.575
local terms energy: -115.699929
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -10.280
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: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -158.187057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.187057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.187057 (E_RNA)
where:
Base-Base interactions energy: -67.507
where: short stacking energy: -51.253
Base-Backbone interact. energy: 1.733
local terms energy: -92.412446
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: 0.418
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: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -605.054716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.054716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.054716 (E_RNA)
where:
Base-Base interactions energy: -420.505
where: short stacking energy: -175.539
Base-Backbone interact. energy: -0.544
local terms energy: -184.006134
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -41.235
flat angles P-C4'-P energy: -24.849
tors. eta vs tors. theta energy: -50.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -557.344078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.344078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.344078 (E_RNA)
where:
Base-Base interactions energy: -385.991
where: short stacking energy: -160.565
Base-Backbone interact. energy: -0.112
local terms energy: -171.241141
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -43.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -529.245413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.245413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.245413 (E_RNA)
where:
Base-Base interactions energy: -371.791
where: short stacking energy: -150.539
Base-Backbone interact. energy: -0.274
local terms energy: -159.045449
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -39.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.865 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -516.876938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.876938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.876938 (E_RNA)
where:
Base-Base interactions energy: -359.220
where: short stacking energy: -138.955
Base-Backbone interact. energy: 0.616
local terms energy: -158.273695
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -38.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -361.772235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.772235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.772235 (E_RNA)
where:
Base-Base interactions energy: -221.844
where: short stacking energy: -91.840
Base-Backbone interact. energy: 2.514
local terms energy: -142.946830
where:
bonds (distance) C4'-P energy: -37.185
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.505 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -362.611190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.611190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.611190 (E_RNA)
where:
Base-Base interactions energy: -224.182
where: short stacking energy: -87.446
Base-Backbone interact. energy: 1.417
local terms energy: -141.990916
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.145 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -330.525912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.525912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.525912 (E_RNA)
where:
Base-Base interactions energy: -192.620
where: short stacking energy: -89.005
Base-Backbone interact. energy: -0.381
local terms energy: -137.525669
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -38.570
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -20.802
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: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -319.536968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.536968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.536968 (E_RNA)
where:
Base-Base interactions energy: -192.240
where: short stacking energy: -83.638
Base-Backbone interact. energy: -1.080
local terms energy: -126.216863
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -32.692
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -226.298294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.298294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.298294 (E_RNA)
where:
Base-Base interactions energy: -126.337
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.915
local terms energy: -99.046185
where:
bonds (distance) C4'-P energy: -34.482
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -3.390
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: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -192.250377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.250377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.250377 (E_RNA)
where:
Base-Base interactions energy: -78.435
where: short stacking energy: -53.129
Base-Backbone interact. energy: -1.045
local terms energy: -112.770377
where:
bonds (distance) C4'-P energy: -28.701
bonds (distance) P-C4' energy: -34.874
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -567.204258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.204258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.204258 (E_RNA)
where:
Base-Base interactions energy: -392.189
where: short stacking energy: -164.712
Base-Backbone interact. energy: -2.112
local terms energy: -172.903698
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -37.666
flat angles P-C4'-P energy: -26.452
tors. eta vs tors. theta energy: -41.099
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: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -589.800223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.800223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.800223 (E_RNA)
where:
Base-Base interactions energy: -407.247
where: short stacking energy: -167.435
Base-Backbone interact. energy: -1.952
local terms energy: -180.601066
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -49.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -527.382870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.382870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.382870 (E_RNA)
where:
Base-Base interactions energy: -357.185
where: short stacking energy: -136.992
Base-Backbone interact. energy: -0.819
local terms energy: -169.378606
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: -43.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -515.642646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.642646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.642646 (E_RNA)
where:
Base-Base interactions energy: -355.166
where: short stacking energy: -140.214
Base-Backbone interact. energy: 2.146
local terms energy: -162.622358
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -36.523
flat angles C4'-P-C4' energy: -37.238
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -35.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -362.105061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.105061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.105061 (E_RNA)
where:
Base-Base interactions energy: -215.575
where: short stacking energy: -99.937
Base-Backbone interact. energy: 0.114
local terms energy: -146.644044
where:
bonds (distance) C4'-P energy: -34.222
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -25.597
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: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -350.799356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.799356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.799356 (E_RNA)
where:
Base-Base interactions energy: -200.865
where: short stacking energy: -111.373
Base-Backbone interact. energy: -2.095
local terms energy: -148.150639
where:
bonds (distance) C4'-P energy: -38.804
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -36.559
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.311 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -314.776214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.776214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.776214 (E_RNA)
where:
Base-Base interactions energy: -200.022
where: short stacking energy: -91.256
Base-Backbone interact. energy: -0.252
local terms energy: -114.502444
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -30.251
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -345.702836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.702836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.702836 (E_RNA)
where:
Base-Base interactions energy: -202.427
where: short stacking energy: -78.082
Base-Backbone interact. energy: -0.156
local terms energy: -143.120063
where:
bonds (distance) C4'-P energy: -33.484
bonds (distance) P-C4' energy: -35.042
flat angles C4'-P-C4' energy: -38.445
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -177.842584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.842584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.842584 (E_RNA)
where:
Base-Base interactions energy: -60.998
where: short stacking energy: -53.015
Base-Backbone interact. energy: 0.008
local terms energy: -116.852452
where:
bonds (distance) C4'-P energy: -31.822
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -28.480
flat angles P-C4'-P energy: -15.471
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: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -219.270988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.270988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.270988 (E_RNA)
where:
Base-Base interactions energy: -109.853
where: short stacking energy: -45.904
Base-Backbone interact. energy: 0.769
local terms energy: -110.186753
where:
bonds (distance) C4'-P energy: -29.052
bonds (distance) P-C4' energy: -38.288
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: 3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -569.029972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.029972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.029972 (E_RNA)
where:
Base-Base interactions energy: -382.491
where: short stacking energy: -155.354
Base-Backbone interact. energy: -2.774
local terms energy: -183.764655
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -39.758
flat angles C4'-P-C4' energy: -42.793
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -46.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -605.736963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.736963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.736963 (E_RNA)
where:
Base-Base interactions energy: -424.750
where: short stacking energy: -165.330
Base-Backbone interact. energy: -1.549
local terms energy: -179.438328
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -34.521
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -49.965
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: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -519.277561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.277561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.277561 (E_RNA)
where:
Base-Base interactions energy: -355.910
where: short stacking energy: -145.437
Base-Backbone interact. energy: -0.649
local terms energy: -162.718587
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -39.127
flat angles C4'-P-C4' energy: -34.765
flat angles P-C4'-P energy: -28.163
tors. eta vs tors. theta energy: -37.806
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: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -497.744043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.744043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.744043 (E_RNA)
where:
Base-Base interactions energy: -335.441
where: short stacking energy: -139.629
Base-Backbone interact. energy: 1.021
local terms energy: -163.323822
where:
bonds (distance) C4'-P energy: -37.282
bonds (distance) P-C4' energy: -31.567
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -39.298
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: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -376.448301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.448301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.448301 (E_RNA)
where:
Base-Base interactions energy: -231.838
where: short stacking energy: -109.636
Base-Backbone interact. energy: -0.515
local terms energy: -144.095667
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -360.532806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.532806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.532806 (E_RNA)
where:
Base-Base interactions energy: -211.052
where: short stacking energy: -95.574
Base-Backbone interact. energy: -0.270
local terms energy: -149.211168
where:
bonds (distance) C4'-P energy: -37.888
bonds (distance) P-C4' energy: -38.096
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -16.561
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: 339
Temperature: 1.200000
Total energy: -311.366700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.366700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.366700 (E_RNA)
where:
Base-Base interactions energy: -192.036
where: short stacking energy: -89.431
Base-Backbone interact. energy: 2.748
local terms energy: -122.078402
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -29.631
flat angles C4'-P-C4' energy: -27.905
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -21.366
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: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -284.390761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.390761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.390761 (E_RNA)
where:
Base-Base interactions energy: -156.451
where: short stacking energy: -66.094
Base-Backbone interact. energy: -0.660
local terms energy: -127.279811
where:
bonds (distance) C4'-P energy: -28.034
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -170.523759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.523759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.523759 (E_RNA)
where:
Base-Base interactions energy: -63.460
where: short stacking energy: -50.489
Base-Backbone interact. energy: 0.317
local terms energy: -107.380525
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -186.748531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.748531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.748531 (E_RNA)
where:
Base-Base interactions energy: -99.125
where: short stacking energy: -69.359
Base-Backbone interact. energy: -0.542
local terms energy: -87.081700
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -0.721
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -606.000019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.000019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.000019 (E_RNA)
where:
Base-Base interactions energy: -424.434
where: short stacking energy: -170.338
Base-Backbone interact. energy: -0.548
local terms energy: -181.018667
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -37.089
flat angles C4'-P-C4' energy: -38.088
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -48.149
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: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -557.723156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.723156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.723156 (E_RNA)
where:
Base-Base interactions energy: -375.863
where: short stacking energy: -156.012
Base-Backbone interact. energy: -3.108
local terms energy: -178.751846
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -39.786
flat angles C4'-P-C4' energy: -37.249
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -43.658
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: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -541.126043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.126043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.126043 (E_RNA)
where:
Base-Base interactions energy: -378.393
where: short stacking energy: -145.512
Base-Backbone interact. energy: -3.535
local terms energy: -159.197481
where:
bonds (distance) C4'-P energy: -27.987
bonds (distance) P-C4' energy: -33.775
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -41.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -507.868450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.868450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.868450 (E_RNA)
where:
Base-Base interactions energy: -357.700
where: short stacking energy: -138.505
Base-Backbone interact. energy: -0.384
local terms energy: -149.785286
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -43.539
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -36.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -412.981056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.981056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.981056 (E_RNA)
where:
Base-Base interactions energy: -249.228
where: short stacking energy: -117.990
Base-Backbone interact. energy: -1.115
local terms energy: -162.638700
where:
bonds (distance) C4'-P energy: -33.904
bonds (distance) P-C4' energy: -40.507
flat angles C4'-P-C4' energy: -37.490
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -30.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -360.165133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.165133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.165133 (E_RNA)
where:
Base-Base interactions energy: -223.005
where: short stacking energy: -104.525
Base-Backbone interact. energy: -0.229
local terms energy: -136.930834
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -36.000
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -24.369
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: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -300.413238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.413238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.413238 (E_RNA)
where:
Base-Base interactions energy: -169.553
where: short stacking energy: -78.182
Base-Backbone interact. energy: -1.719
local terms energy: -129.141279
where:
bonds (distance) C4'-P energy: -36.062
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -36.247
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -299.546834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.546834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.546834 (E_RNA)
where:
Base-Base interactions energy: -170.574
where: short stacking energy: -80.621
Base-Backbone interact. energy: 1.365
local terms energy: -130.337725
where:
bonds (distance) C4'-P energy: -33.098
bonds (distance) P-C4' energy: -40.150
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -165.572653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.572653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.572653 (E_RNA)
where:
Base-Base interactions energy: -52.730
where: short stacking energy: -45.724
Base-Backbone interact. energy: -0.549
local terms energy: -112.293353
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -33.985
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: 0.434
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: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -148.404542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.404542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.404542 (E_RNA)
where:
Base-Base interactions energy: -45.250
where: short stacking energy: -34.932
Base-Backbone interact. energy: -1.202
local terms energy: -101.952319
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: 4.949
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: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -614.237190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.237190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.237190 (E_RNA)
where:
Base-Base interactions energy: -419.958
where: short stacking energy: -166.979
Base-Backbone interact. energy: -1.301
local terms energy: -192.977989
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -51.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -546.445181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.445181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.445181 (E_RNA)
where:
Base-Base interactions energy: -372.273
where: short stacking energy: -155.803
Base-Backbone interact. energy: -1.178
local terms energy: -172.994492
where:
bonds (distance) C4'-P energy: -38.668
bonds (distance) P-C4' energy: -34.675
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -43.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -552.659841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.659841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.659841 (E_RNA)
where:
Base-Base interactions energy: -388.632
where: short stacking energy: -148.779
Base-Backbone interact. energy: -1.986
local terms energy: -162.041982
where:
bonds (distance) C4'-P energy: -36.421
bonds (distance) P-C4' energy: -27.929
flat angles C4'-P-C4' energy: -26.836
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -47.628
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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -490.644346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.644346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.644346 (E_RNA)
where:
Base-Base interactions energy: -341.642
where: short stacking energy: -136.072
Base-Backbone interact. energy: -0.305
local terms energy: -148.697250
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -36.486
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -33.719
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: 341
Temperature: 1.100000
Total energy: -389.900888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.900888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.900888 (E_RNA)
where:
Base-Base interactions energy: -248.468
where: short stacking energy: -110.144
Base-Backbone interact. energy: 1.444
local terms energy: -142.876792
where:
bonds (distance) C4'-P energy: -39.523
bonds (distance) P-C4' energy: -33.223
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -18.828
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: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -327.092029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.092029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.092029 (E_RNA)
where:
Base-Base interactions energy: -185.203
where: short stacking energy: -90.723
Base-Backbone interact. energy: -1.642
local terms energy: -140.246600
where:
bonds (distance) C4'-P energy: -31.099
bonds (distance) P-C4' energy: -42.279
flat angles C4'-P-C4' energy: -31.041
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -12.481
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: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -347.319667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.319667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.319667 (E_RNA)
where:
Base-Base interactions energy: -215.324
where: short stacking energy: -101.578
Base-Backbone interact. energy: 0.533
local terms energy: -132.750000
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -30.394
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.222 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -308.228950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.228950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.228950 (E_RNA)
where:
Base-Base interactions energy: -181.021
where: short stacking energy: -80.927
Base-Backbone interact. energy: 1.097
local terms energy: -128.305266
where:
bonds (distance) C4'-P energy: -32.114
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -167.598300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.598300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.598300 (E_RNA)
where:
Base-Base interactions energy: -61.040
where: short stacking energy: -49.770
Base-Backbone interact. energy: -0.962
local terms energy: -105.595745
where:
bonds (distance) C4'-P energy: -36.661
bonds (distance) P-C4' energy: -40.245
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: 6.054
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: 341
Temperature: 1.350000
Total energy: -163.820957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.820957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.820957 (E_RNA)
where:
Base-Base interactions energy: -67.890
where: short stacking energy: -53.743
Base-Backbone interact. energy: 1.399
local terms energy: -97.329384
where:
bonds (distance) C4'-P energy: -28.575
bonds (distance) P-C4' energy: -35.426
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -555.890580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.890580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.890580 (E_RNA)
where:
Base-Base interactions energy: -388.782
where: short stacking energy: -150.616
Base-Backbone interact. energy: -1.739
local terms energy: -165.370040
where:
bonds (distance) C4'-P energy: -30.294
bonds (distance) P-C4' energy: -41.513
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -37.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -598.479419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.479419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.479419 (E_RNA)
where:
Base-Base interactions energy: -419.661
where: short stacking energy: -159.635
Base-Backbone interact. energy: -1.229
local terms energy: -177.589003
where:
bonds (distance) C4'-P energy: -34.692
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -46.495
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: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -524.645227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.645227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.645227 (E_RNA)
where:
Base-Base interactions energy: -354.875
where: short stacking energy: -140.763
Base-Backbone interact. energy: 1.045
local terms energy: -170.815845
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -42.603
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -41.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -466.577151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.577151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.577151 (E_RNA)
where:
Base-Base interactions energy: -307.702
where: short stacking energy: -135.863
Base-Backbone interact. energy: 1.407
local terms energy: -160.281829
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -22.586
tors. eta vs tors. theta energy: -35.274
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: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -371.049086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.049086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.049086 (E_RNA)
where:
Base-Base interactions energy: -244.674
where: short stacking energy: -93.447
Base-Backbone interact. energy: -1.269
local terms energy: -125.105757
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -14.073
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: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -355.984360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.984360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.984360 (E_RNA)
where:
Base-Base interactions energy: -233.728
where: short stacking energy: -94.216
Base-Backbone interact. energy: -1.952
local terms energy: -120.303606
where:
bonds (distance) C4'-P energy: -25.668
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -17.435
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: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -318.310814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.310814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.310814 (E_RNA)
where:
Base-Base interactions energy: -187.352
where: short stacking energy: -86.902
Base-Backbone interact. energy: -1.254
local terms energy: -129.705568
where:
bonds (distance) C4'-P energy: -34.040
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -30.922
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -292.769855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.769855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.769855 (E_RNA)
where:
Base-Base interactions energy: -175.500
where: short stacking energy: -76.362
Base-Backbone interact. energy: -2.654
local terms energy: -114.616701
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -34.662
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -10.069
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: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -169.259263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.259263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.259263 (E_RNA)
where:
Base-Base interactions energy: -56.378
where: short stacking energy: -54.615
Base-Backbone interact. energy: 0.515
local terms energy: -113.396196
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -33.629
flat angles C4'-P-C4' energy: -30.003
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -173.500527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.500527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.500527 (E_RNA)
where:
Base-Base interactions energy: -59.536
where: short stacking energy: -52.443
Base-Backbone interact. energy: -0.108
local terms energy: -113.857063
where:
bonds (distance) C4'-P energy: -33.467
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -3.679
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: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -555.558788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.558788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.558788 (E_RNA)
where:
Base-Base interactions energy: -370.473
where: short stacking energy: -157.312
Base-Backbone interact. energy: -0.306
local terms energy: -184.779364
where:
bonds (distance) C4'-P energy: -35.808
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -39.000
flat angles P-C4'-P energy: -29.510
tors. eta vs tors. theta energy: -45.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -590.841695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.841695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.841695 (E_RNA)
where:
Base-Base interactions energy: -411.238
where: short stacking energy: -162.710
Base-Backbone interact. energy: -1.837
local terms energy: -178.068842
where:
bonds (distance) C4'-P energy: -36.371
bonds (distance) P-C4' energy: -31.630
flat angles C4'-P-C4' energy: -36.228
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -49.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.302 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -540.624275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.624275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.624275 (E_RNA)
where:
Base-Base interactions energy: -359.041
where: short stacking energy: -145.840
Base-Backbone interact. energy: -1.076
local terms energy: -180.507158
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -38.468
flat angles C4'-P-C4' energy: -40.685
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -40.787
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: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -488.442274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.442274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.442274 (E_RNA)
where:
Base-Base interactions energy: -317.053
where: short stacking energy: -131.375
Base-Backbone interact. energy: -0.189
local terms energy: -171.200149
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -36.909
flat angles P-C4'-P energy: -32.162
tors. eta vs tors. theta energy: -33.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -380.634459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.634459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.634459 (E_RNA)
where:
Base-Base interactions energy: -232.962
where: short stacking energy: -100.269
Base-Backbone interact. energy: -0.855
local terms energy: -146.817306
where:
bonds (distance) C4'-P energy: -35.715
bonds (distance) P-C4' energy: -43.932
flat angles C4'-P-C4' energy: -33.344
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -344.747236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.747236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.747236 (E_RNA)
where:
Base-Base interactions energy: -209.962
where: short stacking energy: -93.092
Base-Backbone interact. energy: -2.091
local terms energy: -132.694680
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -32.175
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -20.828
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: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -307.891237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.891237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.891237 (E_RNA)
where:
Base-Base interactions energy: -180.723
where: short stacking energy: -90.990
Base-Backbone interact. energy: -0.626
local terms energy: -126.868558
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -33.492
flat angles C4'-P-C4' energy: -31.780
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.326 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -306.300372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.300372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.300372 (E_RNA)
where:
Base-Base interactions energy: -188.537
where: short stacking energy: -82.773
Base-Backbone interact. energy: 1.339
local terms energy: -119.101707
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -6.652
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: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -173.048573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.048573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.048573 (E_RNA)
where:
Base-Base interactions energy: -70.084
where: short stacking energy: -44.469
Base-Backbone interact. energy: -0.294
local terms energy: -102.670204
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -1.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -155.215886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.215886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.215886 (E_RNA)
where:
Base-Base interactions energy: -58.941
where: short stacking energy: -48.137
Base-Backbone interact. energy: -0.506
local terms energy: -95.924741
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -30.856
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: 0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.156 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -594.208338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.208338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.208338 (E_RNA)
where:
Base-Base interactions energy: -416.011
where: short stacking energy: -158.428
Base-Backbone interact. energy: -1.191
local terms energy: -177.006020
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -37.355
flat angles C4'-P-C4' energy: -37.499
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -47.258
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: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -546.554489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.554489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.554489 (E_RNA)
where:
Base-Base interactions energy: -369.209
where: short stacking energy: -150.112
Base-Backbone interact. energy: 0.161
local terms energy: -177.506991
where:
bonds (distance) C4'-P energy: -36.676
bonds (distance) P-C4' energy: -35.357
flat angles C4'-P-C4' energy: -40.816
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -46.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -536.328751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.328751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.328751 (E_RNA)
where:
Base-Base interactions energy: -369.321
where: short stacking energy: -148.872
Base-Backbone interact. energy: -2.004
local terms energy: -165.003616
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -35.415
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -42.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -473.928798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.928798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.928798 (E_RNA)
where:
Base-Base interactions energy: -308.614
where: short stacking energy: -132.064
Base-Backbone interact. energy: -2.345
local terms energy: -162.969802
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -34.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -360.739027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.739027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.739027 (E_RNA)
where:
Base-Base interactions energy: -211.721
where: short stacking energy: -92.540
Base-Backbone interact. energy: -0.852
local terms energy: -148.166138
where:
bonds (distance) C4'-P energy: -27.851
bonds (distance) P-C4' energy: -39.404
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -356.491042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.491042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.491042 (E_RNA)
where:
Base-Base interactions energy: -217.599
where: short stacking energy: -102.259
Base-Backbone interact. energy: -0.674
local terms energy: -138.218839
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -36.729
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -346.460471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.460471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.460471 (E_RNA)
where:
Base-Base interactions energy: -217.362
where: short stacking energy: -110.839
Base-Backbone interact. energy: 0.802
local terms energy: -129.899966
where:
bonds (distance) C4'-P energy: -29.274
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -20.231
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: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -321.036566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.036566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.036566 (E_RNA)
where:
Base-Base interactions energy: -191.021
where: short stacking energy: -90.784
Base-Backbone interact. energy: 0.756
local terms energy: -130.771395
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -16.108
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: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -171.374261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.374261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.374261 (E_RNA)
where:
Base-Base interactions energy: -64.613
where: short stacking energy: -54.227
Base-Backbone interact. energy: -0.235
local terms energy: -106.526504
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -17.418
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -172.007544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.007544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.007544 (E_RNA)
where:
Base-Base interactions energy: -75.985
where: short stacking energy: -50.008
Base-Backbone interact. energy: -0.484
local terms energy: -95.538676
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -599.611826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.611826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.611826 (E_RNA)
where:
Base-Base interactions energy: -422.408
where: short stacking energy: -169.479
Base-Backbone interact. energy: -0.904
local terms energy: -176.793106
where:
bonds (distance) C4'-P energy: -29.039
bonds (distance) P-C4' energy: -32.783
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -48.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.493 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -560.666782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.666782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.666782 (E_RNA)
where:
Base-Base interactions energy: -381.034
where: short stacking energy: -149.153
Base-Backbone interact. energy: 0.059
local terms energy: -179.691929
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -41.887
flat angles C4'-P-C4' energy: -40.364
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -45.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -538.500729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.500729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.500729 (E_RNA)
where:
Base-Base interactions energy: -367.240
where: short stacking energy: -138.334
Base-Backbone interact. energy: -0.944
local terms energy: -170.316631
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -41.289
flat angles C4'-P-C4' energy: -34.638
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -44.326
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: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -472.423905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.423905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.423905 (E_RNA)
where:
Base-Base interactions energy: -323.260
where: short stacking energy: -133.815
Base-Backbone interact. energy: -1.620
local terms energy: -147.543724
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -37.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -379.438221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.438221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.438221 (E_RNA)
where:
Base-Base interactions energy: -231.208
where: short stacking energy: -94.622
Base-Backbone interact. energy: -0.541
local terms energy: -147.689577
where:
bonds (distance) C4'-P energy: -36.216
bonds (distance) P-C4' energy: -31.700
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -28.511
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: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -367.168992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.168992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.168992 (E_RNA)
where:
Base-Base interactions energy: -230.486
where: short stacking energy: -104.170
Base-Backbone interact. energy: 0.520
local terms energy: -137.202940
where:
bonds (distance) C4'-P energy: -27.365
bonds (distance) P-C4' energy: -43.266
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -22.208
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: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -321.601279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.601279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.601279 (E_RNA)
where:
Base-Base interactions energy: -185.713
where: short stacking energy: -85.979
Base-Backbone interact. energy: -1.027
local terms energy: -135.584323
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -26.645
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: 0.723 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -316.384275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.384275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.384275 (E_RNA)
where:
Base-Base interactions energy: -186.882
where: short stacking energy: -84.605
Base-Backbone interact. energy: -0.287
local terms energy: -129.215330
where:
bonds (distance) C4'-P energy: -32.987
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -27.970
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -14.892
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: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -167.048653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.048653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.048653 (E_RNA)
where:
Base-Base interactions energy: -58.014
where: short stacking energy: -39.729
Base-Backbone interact. energy: 1.021
local terms energy: -111.351842
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -41.532
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: 5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.297 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -155.258712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.258712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.258712 (E_RNA)
where:
Base-Base interactions energy: -49.257
where: short stacking energy: -47.029
Base-Backbone interact. energy: -0.887
local terms energy: -105.114557
where:
bonds (distance) C4'-P energy: -25.010
bonds (distance) P-C4' energy: -35.978
flat angles C4'-P-C4' energy: -27.290
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: 1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -601.007865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.007865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.007865 (E_RNA)
where:
Base-Base interactions energy: -416.102
where: short stacking energy: -168.609
Base-Backbone interact. energy: -0.702
local terms energy: -184.204678
where:
bonds (distance) C4'-P energy: -34.569
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: -47.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -569.074596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.074596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.074596 (E_RNA)
where:
Base-Base interactions energy: -391.050
where: short stacking energy: -149.617
Base-Backbone interact. energy: -0.353
local terms energy: -177.672029
where:
bonds (distance) C4'-P energy: -35.849
bonds (distance) P-C4' energy: -31.038
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: -45.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -542.839208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.839208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.839208 (E_RNA)
where:
Base-Base interactions energy: -376.439
where: short stacking energy: -150.813
Base-Backbone interact. energy: -1.406
local terms energy: -164.993934
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -41.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -490.774296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.774296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.774296 (E_RNA)
where:
Base-Base interactions energy: -342.122
where: short stacking energy: -136.329
Base-Backbone interact. energy: 1.584
local terms energy: -150.235869
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -31.010
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -36.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -348.632000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.632000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.632000 (E_RNA)
where:
Base-Base interactions energy: -217.219
where: short stacking energy: -88.445
Base-Backbone interact. energy: -1.021
local terms energy: -130.391735
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -329.944492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.944492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.944492 (E_RNA)
where:
Base-Base interactions energy: -204.583
where: short stacking energy: -100.964
Base-Backbone interact. energy: -0.250
local terms energy: -125.111693
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -33.499
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -14.461
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: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -340.671079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.671079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.671079 (E_RNA)
where:
Base-Base interactions energy: -214.658
where: short stacking energy: -96.683
Base-Backbone interact. energy: 1.282
local terms energy: -127.295088
where:
bonds (distance) C4'-P energy: -26.877
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -300.172013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.172013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.172013 (E_RNA)
where:
Base-Base interactions energy: -174.722
where: short stacking energy: -87.043
Base-Backbone interact. energy: 0.190
local terms energy: -125.640438
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -39.780
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -179.284837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.284837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.284837 (E_RNA)
where:
Base-Base interactions energy: -79.965
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.061
local terms energy: -99.258210
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -31.537
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: 3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -176.148475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.148475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.148475 (E_RNA)
where:
Base-Base interactions energy: -47.693
where: short stacking energy: -42.653
Base-Backbone interact. energy: -0.172
local terms energy: -128.283325
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -37.242
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -22.406
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: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -605.784467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.784467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.784467 (E_RNA)
where:
Base-Base interactions energy: -410.616
where: short stacking energy: -160.147
Base-Backbone interact. energy: -1.324
local terms energy: -193.844963
where:
bonds (distance) C4'-P energy: -39.677
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -41.031
flat angles P-C4'-P energy: -29.710
tors. eta vs tors. theta energy: -48.153
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: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -550.737640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.737640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.737640 (E_RNA)
where:
Base-Base interactions energy: -375.738
where: short stacking energy: -156.444
Base-Backbone interact. energy: -0.119
local terms energy: -174.880262
where:
bonds (distance) C4'-P energy: -32.787
bonds (distance) P-C4' energy: -38.109
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -19.736
tors. eta vs tors. theta energy: -44.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -549.111558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.111558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.111558 (E_RNA)
where:
Base-Base interactions energy: -373.935
where: short stacking energy: -155.525
Base-Backbone interact. energy: -1.842
local terms energy: -173.334340
where:
bonds (distance) C4'-P energy: -31.030
bonds (distance) P-C4' energy: -38.010
flat angles C4'-P-C4' energy: -37.787
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -44.604
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: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -499.323326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.323326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.323326 (E_RNA)
where:
Base-Base interactions energy: -338.048
where: short stacking energy: -129.546
Base-Backbone interact. energy: -0.497
local terms energy: -160.779183
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -34.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -323.696932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.696932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.696932 (E_RNA)
where:
Base-Base interactions energy: -188.317
where: short stacking energy: -88.169
Base-Backbone interact. energy: -1.118
local terms energy: -134.262117
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -388.027451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.027451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.027451 (E_RNA)
where:
Base-Base interactions energy: -262.327
where: short stacking energy: -98.641
Base-Backbone interact. energy: -0.147
local terms energy: -125.553965
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -315.982095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.982095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.982095 (E_RNA)
where:
Base-Base interactions energy: -182.477
where: short stacking energy: -88.265
Base-Backbone interact. energy: -0.270
local terms energy: -133.235803
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -37.783
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -315.488117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.488117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.488117 (E_RNA)
where:
Base-Base interactions energy: -183.429
where: short stacking energy: -86.721
Base-Backbone interact. energy: -1.441
local terms energy: -130.617555
where:
bonds (distance) C4'-P energy: -26.809
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -16.517
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: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -183.752783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.752783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.752783 (E_RNA)
where:
Base-Base interactions energy: -80.674
where: short stacking energy: -39.978
Base-Backbone interact. energy: -0.743
local terms energy: -102.335514
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: 2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -160.118229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.118229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.118229 (E_RNA)
where:
Base-Base interactions energy: -74.325
where: short stacking energy: -25.138
Base-Backbone interact. energy: -1.926
local terms energy: -83.867524
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -35.650
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: 10.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -593.980281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.980281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.980281 (E_RNA)
where:
Base-Base interactions energy: -415.613
where: short stacking energy: -165.350
Base-Backbone interact. energy: -0.053
local terms energy: -178.314817
where:
bonds (distance) C4'-P energy: -38.082
bonds (distance) P-C4' energy: -33.350
flat angles C4'-P-C4' energy: -38.427
flat angles P-C4'-P energy: -25.078
tors. eta vs tors. theta energy: -43.378
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: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -547.424688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.424688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.424688 (E_RNA)
where:
Base-Base interactions energy: -365.643
where: short stacking energy: -149.217
Base-Backbone interact. energy: -0.150
local terms energy: -181.631283
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -35.284
tors. eta vs tors. theta energy: -42.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -592.503320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.503320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.503320 (E_RNA)
where:
Base-Base interactions energy: -410.962
where: short stacking energy: -156.333
Base-Backbone interact. energy: -1.402
local terms energy: -180.139174
where:
bonds (distance) C4'-P energy: -38.539
bonds (distance) P-C4' energy: -30.404
flat angles C4'-P-C4' energy: -34.710
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -51.109
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: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -451.413224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.413224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.413224 (E_RNA)
where:
Base-Base interactions energy: -311.628
where: short stacking energy: -120.957
Base-Backbone interact. energy: -0.188
local terms energy: -139.597451
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -36.951
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -31.910
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: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -410.001334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.001334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.001334 (E_RNA)
where:
Base-Base interactions energy: -265.590
where: short stacking energy: -116.128
Base-Backbone interact. energy: 0.091
local terms energy: -144.502142
where:
bonds (distance) C4'-P energy: -34.442
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -41.010
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -343.973729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.973729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.973729 (E_RNA)
where:
Base-Base interactions energy: -204.296
where: short stacking energy: -89.449
Base-Backbone interact. energy: -2.160
local terms energy: -137.517713
where:
bonds (distance) C4'-P energy: -36.386
bonds (distance) P-C4' energy: -36.497
flat angles C4'-P-C4' energy: -32.363
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -324.598210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.598210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.598210 (E_RNA)
where:
Base-Base interactions energy: -198.181
where: short stacking energy: -83.938
Base-Backbone interact. energy: -1.060
local terms energy: -125.357040
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -29.247
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -307.749418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.749418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.749418 (E_RNA)
where:
Base-Base interactions energy: -168.631
where: short stacking energy: -89.508
Base-Backbone interact. energy: -0.463
local terms energy: -138.655559
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -20.631
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -179.579647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.579647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.579647 (E_RNA)
where:
Base-Base interactions energy: -72.076
where: short stacking energy: -68.769
Base-Backbone interact. energy: 4.743
local terms energy: -112.246289
where:
bonds (distance) C4'-P energy: -32.031
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -2.012
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: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -149.745540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.745540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.745540 (E_RNA)
where:
Base-Base interactions energy: -57.756
where: short stacking energy: -32.778
Base-Backbone interact. energy: 0.071
local terms energy: -92.060737
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: 6.866
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: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -593.168911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.168911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.168911 (E_RNA)
where:
Base-Base interactions energy: -412.969
where: short stacking energy: -159.951
Base-Backbone interact. energy: -0.403
local terms energy: -179.796358
where:
bonds (distance) C4'-P energy: -28.295
bonds (distance) P-C4' energy: -36.610
flat angles C4'-P-C4' energy: -37.426
flat angles P-C4'-P energy: -33.496
tors. eta vs tors. theta energy: -43.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -571.876174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.876174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.876174 (E_RNA)
where:
Base-Base interactions energy: -384.446
where: short stacking energy: -135.571
Base-Backbone interact. energy: -3.212
local terms energy: -184.218110
where:
bonds (distance) C4'-P energy: -37.493
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -36.624
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -43.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -547.059605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.059605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.059605 (E_RNA)
where:
Base-Base interactions energy: -368.507
where: short stacking energy: -149.268
Base-Backbone interact. energy: -1.662
local terms energy: -176.890659
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -34.449
flat angles C4'-P-C4' energy: -42.178
flat angles P-C4'-P energy: -23.097
tors. eta vs tors. theta energy: -43.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -473.984646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.984646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.984646 (E_RNA)
where:
Base-Base interactions energy: -324.926
where: short stacking energy: -134.742
Base-Backbone interact. energy: -0.496
local terms energy: -148.562520
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -27.390
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -35.170
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: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -409.129433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.129433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.129433 (E_RNA)
where:
Base-Base interactions energy: -269.451
where: short stacking energy: -105.815
Base-Backbone interact. energy: -0.562
local terms energy: -139.115833
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -37.384
flat angles C4'-P-C4' energy: -24.226
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -377.506018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.506018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.506018 (E_RNA)
where:
Base-Base interactions energy: -232.620
where: short stacking energy: -95.707
Base-Backbone interact. energy: -0.495
local terms energy: -144.894006
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.503 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -311.626512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.626512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.626512 (E_RNA)
where:
Base-Base interactions energy: -176.746
where: short stacking energy: -85.690
Base-Backbone interact. energy: -0.121
local terms energy: -134.759580
where:
bonds (distance) C4'-P energy: -37.463
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -291.984483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.984483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.984483 (E_RNA)
where:
Base-Base interactions energy: -177.150
where: short stacking energy: -80.637
Base-Backbone interact. energy: -1.523
local terms energy: -113.311202
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -31.411
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -189.991448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.991448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.991448 (E_RNA)
where:
Base-Base interactions energy: -73.157
where: short stacking energy: -71.608
Base-Backbone interact. energy: 0.196
local terms energy: -117.029956
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -34.515
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -182.304941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.304941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.304941 (E_RNA)
where:
Base-Base interactions energy: -70.628
where: short stacking energy: -46.041
Base-Backbone interact. energy: 1.736
local terms energy: -113.413198
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -34.601
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -1.366
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: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -612.659736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.659736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.659736 (E_RNA)
where:
Base-Base interactions energy: -416.921
where: short stacking energy: -167.979
Base-Backbone interact. energy: -0.444
local terms energy: -195.294961
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -42.281
flat angles P-C4'-P energy: -33.697
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: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -553.606078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.606078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.606078 (E_RNA)
where:
Base-Base interactions energy: -379.981
where: short stacking energy: -144.059
Base-Backbone interact. energy: -1.729
local terms energy: -171.895991
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -36.884
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: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -499.786984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.786984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.786984 (E_RNA)
where:
Base-Base interactions energy: -331.033
where: short stacking energy: -129.449
Base-Backbone interact. energy: -0.148
local terms energy: -168.605557
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -36.737
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -37.237
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: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -529.915584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.915584 (E_RNA)
where:
Base-Base interactions energy: -364.092
where: short stacking energy: -137.803
Base-Backbone interact. energy: 2.831
local terms energy: -168.654151
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -37.187
flat angles C4'-P-C4' energy: -38.793
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -40.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -437.360275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.360275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.360275 (E_RNA)
where:
Base-Base interactions energy: -301.789
where: short stacking energy: -126.223
Base-Backbone interact. energy: -0.760
local terms energy: -134.811324
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -31.656
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: -30.929
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: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -395.062423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.062423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.062423 (E_RNA)
where:
Base-Base interactions energy: -250.323
where: short stacking energy: -126.133
Base-Backbone interact. energy: -0.749
local terms energy: -143.989836
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -29.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -310.813561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.813561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.813561 (E_RNA)
where:
Base-Base interactions energy: -176.329
where: short stacking energy: -85.706
Base-Backbone interact. energy: -0.992
local terms energy: -133.492927
where:
bonds (distance) C4'-P energy: -26.564
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -34.175
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -298.657787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.657787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.657787 (E_RNA)
where:
Base-Base interactions energy: -171.581
where: short stacking energy: -65.691
Base-Backbone interact. energy: 2.637
local terms energy: -129.714479
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -39.640
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -4.594
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: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -168.136750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.136750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.136750 (E_RNA)
where:
Base-Base interactions energy: -77.725
where: short stacking energy: -74.537
Base-Backbone interact. energy: 1.571
local terms energy: -91.983224
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -3.759
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: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -161.224494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.224494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.224494 (E_RNA)
where:
Base-Base interactions energy: -52.309
where: short stacking energy: -41.712
Base-Backbone interact. energy: -0.355
local terms energy: -108.560612
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: 2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -601.105859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.105859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.105859 (E_RNA)
where:
Base-Base interactions energy: -417.343
where: short stacking energy: -162.868
Base-Backbone interact. energy: -1.033
local terms energy: -182.729822
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -40.508
flat angles C4'-P-C4' energy: -37.059
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -46.461
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -570.889375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.889375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.889375 (E_RNA)
where:
Base-Base interactions energy: -385.921
where: short stacking energy: -145.963
Base-Backbone interact. energy: 0.786
local terms energy: -185.754002
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -38.336
flat angles C4'-P-C4' energy: -40.381
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -41.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -492.912640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.912640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.912640 (E_RNA)
where:
Base-Base interactions energy: -331.101
where: short stacking energy: -132.449
Base-Backbone interact. energy: -0.788
local terms energy: -161.023162
where:
bonds (distance) C4'-P energy: -29.482
bonds (distance) P-C4' energy: -36.621
flat angles C4'-P-C4' energy: -38.328
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -34.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -518.229267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.229267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.229267 (E_RNA)
where:
Base-Base interactions energy: -359.856
where: short stacking energy: -142.553
Base-Backbone interact. energy: 0.748
local terms energy: -159.121557
where:
bonds (distance) C4'-P energy: -26.259
bonds (distance) P-C4' energy: -36.923
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -39.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -449.133238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.133238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.133238 (E_RNA)
where:
Base-Base interactions energy: -304.122
where: short stacking energy: -125.806
Base-Backbone interact. energy: -2.340
local terms energy: -142.671603
where:
bonds (distance) C4'-P energy: -33.542
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -30.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -350.209166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.209166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.209166 (E_RNA)
where:
Base-Base interactions energy: -224.479
where: short stacking energy: -80.559
Base-Backbone interact. energy: -0.129
local terms energy: -125.601720
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -322.706532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.706532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.706532 (E_RNA)
where:
Base-Base interactions energy: -178.540
where: short stacking energy: -90.892
Base-Backbone interact. energy: -0.371
local terms energy: -143.795289
where:
bonds (distance) C4'-P energy: -33.687
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -25.790
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: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -324.011256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.011256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.011256 (E_RNA)
where:
Base-Base interactions energy: -192.605
where: short stacking energy: -81.005
Base-Backbone interact. energy: -0.738
local terms energy: -130.668333
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -19.906
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: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -172.478529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.478529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.478529 (E_RNA)
where:
Base-Base interactions energy: -65.763
where: short stacking energy: -54.637
Base-Backbone interact. energy: -3.273
local terms energy: -103.441966
where:
bonds (distance) C4'-P energy: -26.629
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: 5.975
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: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -155.678686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.678686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.678686 (E_RNA)
where:
Base-Base interactions energy: -77.983
where: short stacking energy: -45.956
Base-Backbone interact. energy: 0.437
local terms energy: -78.133114
where:
bonds (distance) C4'-P energy: -25.561
bonds (distance) P-C4' energy: -30.780
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: 8.545
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: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -605.427683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.427683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.427683 (E_RNA)
where:
Base-Base interactions energy: -419.581
where: short stacking energy: -158.747
Base-Backbone interact. energy: -1.213
local terms energy: -184.633911
where:
bonds (distance) C4'-P energy: -38.407
bonds (distance) P-C4' energy: -38.963
flat angles C4'-P-C4' energy: -36.201
flat angles P-C4'-P energy: -28.539
tors. eta vs tors. theta energy: -42.525
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: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -580.037331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.037331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.037331 (E_RNA)
where:
Base-Base interactions energy: -401.023
where: short stacking energy: -153.098
Base-Backbone interact. energy: -0.430
local terms energy: -178.584671
where:
bonds (distance) C4'-P energy: -35.800
bonds (distance) P-C4' energy: -39.576
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: -38.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -526.523173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.523173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.523173 (E_RNA)
where:
Base-Base interactions energy: -363.793
where: short stacking energy: -141.906
Base-Backbone interact. energy: -1.226
local terms energy: -161.504282
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -43.376
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: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -493.601574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.601574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.601574 (E_RNA)
where:
Base-Base interactions energy: -331.939
where: short stacking energy: -147.677
Base-Backbone interact. energy: -2.018
local terms energy: -159.644350
where:
bonds (distance) C4'-P energy: -35.282
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -37.761
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: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -459.814292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.814292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.814292 (E_RNA)
where:
Base-Base interactions energy: -300.641
where: short stacking energy: -122.605
Base-Backbone interact. energy: -1.170
local terms energy: -158.003230
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -29.337
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: 352
Temperature: 1.150000
Total energy: -330.480886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.480886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.480886 (E_RNA)
where:
Base-Base interactions energy: -202.376
where: short stacking energy: -74.479
Base-Backbone interact. energy: 0.139
local terms energy: -128.244219
where:
bonds (distance) C4'-P energy: -32.036
bonds (distance) P-C4' energy: -37.871
flat angles C4'-P-C4' energy: -28.988
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -11.497
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: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -355.486963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.486963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.486963 (E_RNA)
where:
Base-Base interactions energy: -213.378
where: short stacking energy: -91.903
Base-Backbone interact. energy: -1.446
local terms energy: -140.662997
where:
bonds (distance) C4'-P energy: -32.984
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -18.602
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: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -301.598276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.598276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.598276 (E_RNA)
where:
Base-Base interactions energy: -180.513
where: short stacking energy: -92.530
Base-Backbone interact. energy: 0.143
local terms energy: -121.692853
where:
bonds (distance) C4'-P energy: -27.484
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.464 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -177.963562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.963562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.963562 (E_RNA)
where:
Base-Base interactions energy: -61.204
where: short stacking energy: -46.952
Base-Backbone interact. energy: -0.398
local terms energy: -116.361679
where:
bonds (distance) C4'-P energy: -36.797
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -172.748169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.748169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.748169 (E_RNA)
where:
Base-Base interactions energy: -58.733
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.026
local terms energy: -115.677318
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -38.593
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.689 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -610.875670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.875670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.875670 (E_RNA)
where:
Base-Base interactions energy: -422.480
where: short stacking energy: -162.434
Base-Backbone interact. energy: -0.701
local terms energy: -187.695060
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -39.696
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -49.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -593.086670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.086670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.086670 (E_RNA)
where:
Base-Base interactions energy: -410.887
where: short stacking energy: -157.210
Base-Backbone interact. energy: -0.724
local terms energy: -181.475248
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -37.361
flat angles C4'-P-C4' energy: -39.788
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -44.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -551.059547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.059547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.059547 (E_RNA)
where:
Base-Base interactions energy: -383.608
where: short stacking energy: -147.079
Base-Backbone interact. energy: 0.680
local terms energy: -168.131124
where:
bonds (distance) C4'-P energy: -30.657
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -36.798
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -41.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -493.761611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.761611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.761611 (E_RNA)
where:
Base-Base interactions energy: -336.269
where: short stacking energy: -145.440
Base-Backbone interact. energy: -0.123
local terms energy: -157.370280
where:
bonds (distance) C4'-P energy: -30.202
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -26.636
tors. eta vs tors. theta energy: -35.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -440.377890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.377890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.377890 (E_RNA)
where:
Base-Base interactions energy: -290.292
where: short stacking energy: -116.665
Base-Backbone interact. energy: 0.999
local terms energy: -151.084311
where:
bonds (distance) C4'-P energy: -37.302
bonds (distance) P-C4' energy: -36.483
flat angles C4'-P-C4' energy: -33.000
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -383.912873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.912873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.912873 (E_RNA)
where:
Base-Base interactions energy: -245.079
where: short stacking energy: -98.055
Base-Backbone interact. energy: 0.242
local terms energy: -139.075789
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -364.655635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.655635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.655635 (E_RNA)
where:
Base-Base interactions energy: -231.471
where: short stacking energy: -106.358
Base-Backbone interact. energy: -0.493
local terms energy: -132.691211
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -17.053
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: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -284.967450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.967450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.967450 (E_RNA)
where:
Base-Base interactions energy: -162.253
where: short stacking energy: -80.273
Base-Backbone interact. energy: 0.665
local terms energy: -123.379309
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -41.537
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -167.785123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.785123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.785123 (E_RNA)
where:
Base-Base interactions energy: -67.696
where: short stacking energy: -33.625
Base-Backbone interact. energy: -1.096
local terms energy: -98.993379
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: 7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -160.092630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.092630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.092630 (E_RNA)
where:
Base-Base interactions energy: -65.379
where: short stacking energy: -51.239
Base-Backbone interact. energy: 0.390
local terms energy: -95.104345
where:
bonds (distance) C4'-P energy: -36.206
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: 5.856
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: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -599.069418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.069418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.069418 (E_RNA)
where:
Base-Base interactions energy: -416.883
where: short stacking energy: -165.792
Base-Backbone interact. energy: 1.669
local terms energy: -183.933349
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -43.583
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -43.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.078 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -589.533820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.533820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.533820 (E_RNA)
where:
Base-Base interactions energy: -414.353
where: short stacking energy: -148.508
Base-Backbone interact. energy: 0.396
local terms energy: -175.577468
where:
bonds (distance) C4'-P energy: -38.560
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -36.874
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -40.776
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: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -530.063770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.063770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.063770 (E_RNA)
where:
Base-Base interactions energy: -374.234
where: short stacking energy: -149.384
Base-Backbone interact. energy: 4.262
local terms energy: -160.092226
where:
bonds (distance) C4'-P energy: -30.912
bonds (distance) P-C4' energy: -28.652
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -42.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -488.768366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.768366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.768366 (E_RNA)
where:
Base-Base interactions energy: -321.939
where: short stacking energy: -130.562
Base-Backbone interact. energy: 0.957
local terms energy: -167.786718
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -38.256
flat angles P-C4'-P energy: -30.429
tors. eta vs tors. theta energy: -32.124
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: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -452.361461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.361461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.361461 (E_RNA)
where:
Base-Base interactions energy: -298.066
where: short stacking energy: -125.464
Base-Backbone interact. energy: -1.106
local terms energy: -153.189247
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -35.570
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -32.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -446.614928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.614928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.614928 (E_RNA)
where:
Base-Base interactions energy: -305.832
where: short stacking energy: -127.525
Base-Backbone interact. energy: -1.206
local terms energy: -139.577075
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -375.811439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.811439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.811439 (E_RNA)
where:
Base-Base interactions energy: -228.931
where: short stacking energy: -103.560
Base-Backbone interact. energy: -0.908
local terms energy: -145.972371
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -35.545
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -26.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -287.913014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.913014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.913014 (E_RNA)
where:
Base-Base interactions energy: -166.991
where: short stacking energy: -79.279
Base-Backbone interact. energy: -3.020
local terms energy: -117.902262
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -27.521
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -10.629
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: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -156.536034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.536034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.536034 (E_RNA)
where:
Base-Base interactions energy: -63.770
where: short stacking energy: -43.542
Base-Backbone interact. energy: -1.115
local terms energy: -91.650435
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: 5.750
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -166.701862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.701862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.701862 (E_RNA)
where:
Base-Base interactions energy: -65.003
where: short stacking energy: -64.282
Base-Backbone interact. energy: 0.802
local terms energy: -102.500594
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -27.763
flat angles P-C4'-P energy: -9.062
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: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -594.807535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.807535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.807535 (E_RNA)
where:
Base-Base interactions energy: -412.352
where: short stacking energy: -160.121
Base-Backbone interact. energy: -1.920
local terms energy: -180.534933
where:
bonds (distance) C4'-P energy: -34.653
bonds (distance) P-C4' energy: -39.344
flat angles C4'-P-C4' energy: -34.571
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -44.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -551.208296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.208296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.208296 (E_RNA)
where:
Base-Base interactions energy: -381.607
where: short stacking energy: -162.833
Base-Backbone interact. energy: 0.076
local terms energy: -169.677509
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -32.123
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -47.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -565.299217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.299217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.299217 (E_RNA)
where:
Base-Base interactions energy: -391.820
where: short stacking energy: -159.256
Base-Backbone interact. energy: 0.160
local terms energy: -173.638875
where:
bonds (distance) C4'-P energy: -29.586
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -41.142
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -41.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -479.001297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.001297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.001297 (E_RNA)
where:
Base-Base interactions energy: -330.577
where: short stacking energy: -134.270
Base-Backbone interact. energy: -1.161
local terms energy: -147.263729
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -30.058
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -34.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -435.720488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.720488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.720488 (E_RNA)
where:
Base-Base interactions energy: -283.365
where: short stacking energy: -109.245
Base-Backbone interact. energy: -0.482
local terms energy: -151.874050
where:
bonds (distance) C4'-P energy: -32.882
bonds (distance) P-C4' energy: -39.122
flat angles C4'-P-C4' energy: -37.288
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -25.549
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: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -414.376382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.376382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.376382 (E_RNA)
where:
Base-Base interactions energy: -270.852
where: short stacking energy: -126.801
Base-Backbone interact. energy: -0.185
local terms energy: -143.338836
where:
bonds (distance) C4'-P energy: -26.454
bonds (distance) P-C4' energy: -38.297
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -30.001
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: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -382.549689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.549689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.549689 (E_RNA)
where:
Base-Base interactions energy: -253.042
where: short stacking energy: -103.779
Base-Backbone interact. energy: -0.529
local terms energy: -128.978113
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -36.481
flat angles C4'-P-C4' energy: -36.224
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -283.835470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.835470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.835470 (E_RNA)
where:
Base-Base interactions energy: -179.431
where: short stacking energy: -70.156
Base-Backbone interact. energy: -1.875
local terms energy: -102.529917
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -33.781
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -197.506668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.506668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.506668 (E_RNA)
where:
Base-Base interactions energy: -98.078
where: short stacking energy: -51.761
Base-Backbone interact. energy: -2.352
local terms energy: -97.076768
where:
bonds (distance) C4'-P energy: -25.811
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -164.194968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.194968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.194968 (E_RNA)
where:
Base-Base interactions energy: -72.607
where: short stacking energy: -49.887
Base-Backbone interact. energy: 1.832
local terms energy: -93.419744
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: 1.351
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: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -600.212379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.212379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.212379 (E_RNA)
where:
Base-Base interactions energy: -412.630
where: short stacking energy: -163.154
Base-Backbone interact. energy: -0.871
local terms energy: -186.711730
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -43.913
flat angles P-C4'-P energy: -29.412
tors. eta vs tors. theta energy: -42.707
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: 2, replica: 9
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -538.255319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.255319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.255319 (E_RNA)
where:
Base-Base interactions energy: -368.299
where: short stacking energy: -145.401
Base-Backbone interact. energy: -0.049
local terms energy: -169.906913
where:
bonds (distance) C4'-P energy: -28.781
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -37.594
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -42.101
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: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -571.797604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.797604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.797604 (E_RNA)
where:
Base-Base interactions energy: -408.285
where: short stacking energy: -160.959
Base-Backbone interact. energy: -0.547
local terms energy: -162.965041
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -41.477
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -44.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -488.986977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.986977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.986977 (E_RNA)
where:
Base-Base interactions energy: -330.119
where: short stacking energy: -146.586
Base-Backbone interact. energy: -1.440
local terms energy: -157.428317
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -24.876
tors. eta vs tors. theta energy: -33.548
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: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -475.987922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.987922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.987922 (E_RNA)
where:
Base-Base interactions energy: -331.456
where: short stacking energy: -134.716
Base-Backbone interact. energy: 0.199
local terms energy: -145.114160
where:
bonds (distance) C4'-P energy: -29.359
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -32.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -437.428825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.428825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.428825 (E_RNA)
where:
Base-Base interactions energy: -283.273
where: short stacking energy: -118.688
Base-Backbone interact. energy: -0.957
local terms energy: -153.198089
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -41.242
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -24.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -383.698611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.698611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.698611 (E_RNA)
where:
Base-Base interactions energy: -237.163
where: short stacking energy: -111.547
Base-Backbone interact. energy: -1.499
local terms energy: -145.037010
where:
bonds (distance) C4'-P energy: -26.361
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -35.346
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -28.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -240.802485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.802485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.802485 (E_RNA)
where:
Base-Base interactions energy: -118.428
where: short stacking energy: -67.654
Base-Backbone interact. energy: -0.268
local terms energy: -122.106877
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -32.201
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -20.317
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -163.592127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.592127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.592127 (E_RNA)
where:
Base-Base interactions energy: -53.713
where: short stacking energy: -45.331
Base-Backbone interact. energy: 1.238
local terms energy: -111.116658
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -40.581
flat angles C4'-P-C4' energy: -26.510
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -213.879788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.879788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.879788 (E_RNA)
where:
Base-Base interactions energy: -92.868
where: short stacking energy: -42.733
Base-Backbone interact. energy: -1.367
local terms energy: -119.644202
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -39.650
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -604.555988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.555988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.555988 (E_RNA)
where:
Base-Base interactions energy: -425.250
where: short stacking energy: -165.545
Base-Backbone interact. energy: -1.960
local terms energy: -177.346213
where:
bonds (distance) C4'-P energy: -29.743
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -40.579
flat angles P-C4'-P energy: -29.406
tors. eta vs tors. theta energy: -44.527
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: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -545.266179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.266179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.266179 (E_RNA)
where:
Base-Base interactions energy: -369.395
where: short stacking energy: -139.908
Base-Backbone interact. energy: -0.903
local terms energy: -174.968305
where:
bonds (distance) C4'-P energy: -30.195
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -40.210
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -42.257
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: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -571.112362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.112362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.112362 (E_RNA)
where:
Base-Base interactions energy: -388.754
where: short stacking energy: -155.256
Base-Backbone interact. energy: -1.177
local terms energy: -181.180747
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -39.438
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -25.989
tors. eta vs tors. theta energy: -42.002
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: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -488.555416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.555416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.555416 (E_RNA)
where:
Base-Base interactions energy: -324.844
where: short stacking energy: -146.999
Base-Backbone interact. energy: 0.101
local terms energy: -163.812131
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -37.905
flat angles C4'-P-C4' energy: -39.387
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -38.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -468.474856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.474856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.474856 (E_RNA)
where:
Base-Base interactions energy: -321.596
where: short stacking energy: -137.168
Base-Backbone interact. energy: -0.842
local terms energy: -146.037134
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -30.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -398.877469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.877469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.877469 (E_RNA)
where:
Base-Base interactions energy: -255.540
where: short stacking energy: -119.013
Base-Backbone interact. energy: -0.764
local terms energy: -142.573063
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -35.276
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -25.256
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: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -432.797275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.797275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.797275 (E_RNA)
where:
Base-Base interactions energy: -283.751
where: short stacking energy: -119.752
Base-Backbone interact. energy: -1.583
local terms energy: -147.766601
where:
bonds (distance) C4'-P energy: -30.000
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -26.512
tors. eta vs tors. theta energy: -25.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.303 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -237.052827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.052827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.052827 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.871
local terms energy: -113.871882
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -10.905
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: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -170.788882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.788882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.788882 (E_RNA)
where:
Base-Base interactions energy: -55.882
where: short stacking energy: -49.017
Base-Backbone interact. energy: -0.294
local terms energy: -114.613405
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -34.454
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -3.760
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: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -251.266443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.266443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.266443 (E_RNA)
where:
Base-Base interactions energy: -136.095
where: short stacking energy: -69.323
Base-Backbone interact. energy: -0.933
local terms energy: -114.238994
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -8.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -579.093192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.093192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.093192 (E_RNA)
where:
Base-Base interactions energy: -403.658
where: short stacking energy: -157.105
Base-Backbone interact. energy: -1.274
local terms energy: -175.512825
where:
bonds (distance) C4'-P energy: -33.174
bonds (distance) P-C4' energy: -38.854
flat angles C4'-P-C4' energy: -34.745
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -45.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.352 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -549.342469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.342469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.342469 (E_RNA)
where:
Base-Base interactions energy: -373.058
where: short stacking energy: -153.168
Base-Backbone interact. energy: 1.213
local terms energy: -177.497521
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -41.718
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -41.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -583.204834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.204834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.204834 (E_RNA)
where:
Base-Base interactions energy: -400.097
where: short stacking energy: -162.153
Base-Backbone interact. energy: -2.531
local terms energy: -180.576974
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -38.396
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -48.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -487.265417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.265417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.265417 (E_RNA)
where:
Base-Base interactions energy: -324.225
where: short stacking energy: -136.302
Base-Backbone interact. energy: 0.139
local terms energy: -163.178763
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -35.556
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -31.980
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: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -461.271165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.271165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.271165 (E_RNA)
where:
Base-Base interactions energy: -310.895
where: short stacking energy: -130.793
Base-Backbone interact. energy: -0.887
local terms energy: -149.489148
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -33.912
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -24.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -375.063370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.063370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.063370 (E_RNA)
where:
Base-Base interactions energy: -241.151
where: short stacking energy: -109.019
Base-Backbone interact. energy: -0.344
local terms energy: -133.567727
where:
bonds (distance) C4'-P energy: -35.695
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -22.500
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: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -403.115937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.115937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.115937 (E_RNA)
where:
Base-Base interactions energy: -263.073
where: short stacking energy: -111.114
Base-Backbone interact. energy: 0.691
local terms energy: -140.734326
where:
bonds (distance) C4'-P energy: -36.288
bonds (distance) P-C4' energy: -35.107
flat angles C4'-P-C4' energy: -26.869
flat angles P-C4'-P energy: -16.841
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: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -241.596214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.596214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.596214 (E_RNA)
where:
Base-Base interactions energy: -133.463
where: short stacking energy: -89.848
Base-Backbone interact. energy: -1.701
local terms energy: -106.431790
where:
bonds (distance) C4'-P energy: -32.120
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -13.636
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: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -187.850141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.850141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.850141 (E_RNA)
where:
Base-Base interactions energy: -81.014
where: short stacking energy: -48.859
Base-Backbone interact. energy: 1.097
local terms energy: -107.933209
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -0.944
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: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -173.316757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.316757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.316757 (E_RNA)
where:
Base-Base interactions energy: -62.262
where: short stacking energy: -41.275
Base-Backbone interact. energy: 2.182
local terms energy: -113.236775
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -41.982
flat angles C4'-P-C4' energy: -30.132
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -1.926
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: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -602.056235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.056235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.056235 (E_RNA)
where:
Base-Base interactions energy: -423.917
where: short stacking energy: -168.676
Base-Backbone interact. energy: -0.796
local terms energy: -177.343649
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -40.660
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -46.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.001 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -572.758457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.758457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.758457 (E_RNA)
where:
Base-Base interactions energy: -379.265
where: short stacking energy: -147.522
Base-Backbone interact. energy: -0.500
local terms energy: -192.993614
where:
bonds (distance) C4'-P energy: -41.545
bonds (distance) P-C4' energy: -38.736
flat angles C4'-P-C4' energy: -42.053
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -43.762
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: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -525.543620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.543620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.543620 (E_RNA)
where:
Base-Base interactions energy: -363.376
where: short stacking energy: -140.110
Base-Backbone interact. energy: -0.522
local terms energy: -161.902995
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -33.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.258 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -493.523676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.523676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.523676 (E_RNA)
where:
Base-Base interactions energy: -336.647
where: short stacking energy: -148.429
Base-Backbone interact. energy: 1.195
local terms energy: -158.071332
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -38.798
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -39.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -468.435434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.435434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.435434 (E_RNA)
where:
Base-Base interactions energy: -298.980
where: short stacking energy: -134.236
Base-Backbone interact. energy: -0.724
local terms energy: -168.731139
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -430.134691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.134691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.134691 (E_RNA)
where:
Base-Base interactions energy: -277.801
where: short stacking energy: -94.595
Base-Backbone interact. energy: -0.615
local terms energy: -151.719190
where:
bonds (distance) C4'-P energy: -36.570
bonds (distance) P-C4' energy: -38.587
flat angles C4'-P-C4' energy: -37.391
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -321.771268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.771268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.771268 (E_RNA)
where:
Base-Base interactions energy: -194.435
where: short stacking energy: -91.003
Base-Backbone interact. energy: -0.995
local terms energy: -126.341160
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -23.748
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: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -237.874046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.874046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.874046 (E_RNA)
where:
Base-Base interactions energy: -126.189
where: short stacking energy: -67.425
Base-Backbone interact. energy: -1.153
local terms energy: -110.531893
where:
bonds (distance) C4'-P energy: -31.925
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -11.634
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -219.052772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.052772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.052772 (E_RNA)
where:
Base-Base interactions energy: -108.057
where: short stacking energy: -52.912
Base-Backbone interact. energy: 5.742
local terms energy: -119.778966
where:
bonds (distance) C4'-P energy: -36.660
bonds (distance) P-C4' energy: -32.551
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.041 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -184.424352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.424352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.424352 (E_RNA)
where:
Base-Base interactions energy: -73.165
where: short stacking energy: -46.704
Base-Backbone interact. energy: 0.049
local terms energy: -111.309154
where:
bonds (distance) C4'-P energy: -27.716
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -26.973
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -594.788759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.788759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.788759 (E_RNA)
where:
Base-Base interactions energy: -408.728
where: short stacking energy: -174.162
Base-Backbone interact. energy: -1.086
local terms energy: -184.974512
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -41.324
flat angles P-C4'-P energy: -23.672
tors. eta vs tors. theta energy: -50.036
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: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -580.762917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.762917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.762917 (E_RNA)
where:
Base-Base interactions energy: -402.783
where: short stacking energy: -149.569
Base-Backbone interact. energy: -1.042
local terms energy: -176.937231
where:
bonds (distance) C4'-P energy: -32.991
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -40.381
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -40.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -510.562211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.562211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.562211 (E_RNA)
where:
Base-Base interactions energy: -344.871
where: short stacking energy: -140.300
Base-Backbone interact. energy: -4.232
local terms energy: -161.459329
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -35.823
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: -36.354
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: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -521.893317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.893317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.893317 (E_RNA)
where:
Base-Base interactions energy: -364.305
where: short stacking energy: -129.979
Base-Backbone interact. energy: -0.544
local terms energy: -157.044868
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -34.584
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: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -456.046985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.046985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.046985 (E_RNA)
where:
Base-Base interactions energy: -295.829
where: short stacking energy: -117.435
Base-Backbone interact. energy: 0.580
local terms energy: -160.798086
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -32.325
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -36.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -401.736563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.736563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.736563 (E_RNA)
where:
Base-Base interactions energy: -268.117
where: short stacking energy: -98.661
Base-Backbone interact. energy: -0.689
local terms energy: -132.931255
where:
bonds (distance) C4'-P energy: -31.871
bonds (distance) P-C4' energy: -35.045
flat angles C4'-P-C4' energy: -34.062
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -13.741
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: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -322.927571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.927571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.927571 (E_RNA)
where:
Base-Base interactions energy: -191.796
where: short stacking energy: -85.246
Base-Backbone interact. energy: -1.107
local terms energy: -130.025067
where:
bonds (distance) C4'-P energy: -35.956
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -249.663860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.663860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.663860 (E_RNA)
where:
Base-Base interactions energy: -143.176
where: short stacking energy: -91.335
Base-Backbone interact. energy: -0.594
local terms energy: -105.998817
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -173.302413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.302413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.302413 (E_RNA)
where:
Base-Base interactions energy: -76.150
where: short stacking energy: -47.782
Base-Backbone interact. energy: 0.034
local terms energy: -97.186572
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: 4.406
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: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -208.965589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.965589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.965589 (E_RNA)
where:
Base-Base interactions energy: -113.503
where: short stacking energy: -51.527
Base-Backbone interact. energy: 0.084
local terms energy: -95.545776
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -592.327793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.327793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.327793 (E_RNA)
where:
Base-Base interactions energy: -415.732
where: short stacking energy: -174.367
Base-Backbone interact. energy: -1.874
local terms energy: -174.721849
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -39.132
flat angles P-C4'-P energy: -25.725
tors. eta vs tors. theta energy: -50.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -565.708892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.708892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.708892 (E_RNA)
where:
Base-Base interactions energy: -390.759
where: short stacking energy: -147.290
Base-Backbone interact. energy: -0.794
local terms energy: -174.155742
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -38.166
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -39.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -520.092158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.092158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.092158 (E_RNA)
where:
Base-Base interactions energy: -344.906
where: short stacking energy: -150.442
Base-Backbone interact. energy: -1.214
local terms energy: -173.971824
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -38.474
flat angles C4'-P-C4' energy: -39.056
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -42.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -521.671477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.671477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.671477 (E_RNA)
where:
Base-Base interactions energy: -358.861
where: short stacking energy: -155.169
Base-Backbone interact. energy: -1.111
local terms energy: -161.699103
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -41.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -461.089586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.089586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.089586 (E_RNA)
where:
Base-Base interactions energy: -302.015
where: short stacking energy: -128.133
Base-Backbone interact. energy: 0.064
local terms energy: -159.138367
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -36.273
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: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -421.004308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.004308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.004308 (E_RNA)
where:
Base-Base interactions energy: -276.170
where: short stacking energy: -114.775
Base-Backbone interact. energy: -0.526
local terms energy: -144.307504
where:
bonds (distance) C4'-P energy: -35.494
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -30.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -315.797094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.797094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.797094 (E_RNA)
where:
Base-Base interactions energy: -187.418
where: short stacking energy: -89.915
Base-Backbone interact. energy: -0.697
local terms energy: -127.681708
where:
bonds (distance) C4'-P energy: -33.978
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -24.840
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -249.266618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.266618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.266618 (E_RNA)
where:
Base-Base interactions energy: -124.984
where: short stacking energy: -66.629
Base-Backbone interact. energy: 0.489
local terms energy: -124.771818
where:
bonds (distance) C4'-P energy: -32.864
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -7.258
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: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -214.269241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.269241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.269241 (E_RNA)
where:
Base-Base interactions energy: -110.041
where: short stacking energy: -48.915
Base-Backbone interact. energy: -0.657
local terms energy: -103.571289
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: 6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -208.452790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.452790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.452790 (E_RNA)
where:
Base-Base interactions energy: -112.172
where: short stacking energy: -53.199
Base-Backbone interact. energy: 0.165
local terms energy: -96.445805
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: 7.094
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: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -588.769940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.769940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.769940 (E_RNA)
where:
Base-Base interactions energy: -401.836
where: short stacking energy: -161.074
Base-Backbone interact. energy: -0.598
local terms energy: -186.336365
where:
bonds (distance) C4'-P energy: -37.986
bonds (distance) P-C4' energy: -38.281
flat angles C4'-P-C4' energy: -35.146
flat angles P-C4'-P energy: -25.394
tors. eta vs tors. theta energy: -49.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -577.195752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.195752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.195752 (E_RNA)
where:
Base-Base interactions energy: -400.183
where: short stacking energy: -159.713
Base-Backbone interact. energy: -1.872
local terms energy: -175.159012
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -32.615
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -44.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.019 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -527.818815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.818815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.818815 (E_RNA)
where:
Base-Base interactions energy: -356.704
where: short stacking energy: -149.324
Base-Backbone interact. energy: -3.081
local terms energy: -168.033981
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -41.456
flat angles C4'-P-C4' energy: -39.721
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -36.246
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: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -506.276877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.276877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.276877 (E_RNA)
where:
Base-Base interactions energy: -338.749
where: short stacking energy: -129.585
Base-Backbone interact. energy: 1.784
local terms energy: -169.311178
where:
bonds (distance) C4'-P energy: -38.248
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: -38.229
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: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -433.026110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.026110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.026110 (E_RNA)
where:
Base-Base interactions energy: -266.662
where: short stacking energy: -114.246
Base-Backbone interact. energy: -0.276
local terms energy: -166.088120
where:
bonds (distance) C4'-P energy: -35.778
bonds (distance) P-C4' energy: -37.903
flat angles C4'-P-C4' energy: -33.304
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -32.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -399.597304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.597304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.597304 (E_RNA)
where:
Base-Base interactions energy: -257.243
where: short stacking energy: -112.075
Base-Backbone interact. energy: -1.761
local terms energy: -140.593434
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -33.333
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -309.407156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.407156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.407156 (E_RNA)
where:
Base-Base interactions energy: -189.564
where: short stacking energy: -87.088
Base-Backbone interact. energy: -0.670
local terms energy: -119.173965
where:
bonds (distance) C4'-P energy: -28.575
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -231.396060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.396060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.396060 (E_RNA)
where:
Base-Base interactions energy: -115.534
where: short stacking energy: -71.603
Base-Backbone interact. energy: 8.423
local terms energy: -124.397606
where:
bonds (distance) C4'-P energy: -39.266
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.112 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -237.337566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.337566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.337566 (E_RNA)
where:
Base-Base interactions energy: -124.229
where: short stacking energy: -66.174
Base-Backbone interact. energy: -0.035
local terms energy: -113.871322
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -35.313
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.798 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -213.674558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.674558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.674558 (E_RNA)
where:
Base-Base interactions energy: -117.816
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.851
local terms energy: -95.007486
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -31.667
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -582.494308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.494308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.494308 (E_RNA)
where:
Base-Base interactions energy: -398.517
where: short stacking energy: -164.263
Base-Backbone interact. energy: -1.331
local terms energy: -182.687865
where:
bonds (distance) C4'-P energy: -36.736
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -37.412
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -47.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -587.774187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.774187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.774187 (E_RNA)
where:
Base-Base interactions energy: -404.982
where: short stacking energy: -166.495
Base-Backbone interact. energy: -1.240
local terms energy: -181.551461
where:
bonds (distance) C4'-P energy: -41.260
bonds (distance) P-C4' energy: -34.462
flat angles C4'-P-C4' energy: -39.349
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -40.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -509.102908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.102908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.102908 (E_RNA)
where:
Base-Base interactions energy: -343.313
where: short stacking energy: -142.378
Base-Backbone interact. energy: -1.609
local terms energy: -164.181298
where:
bonds (distance) C4'-P energy: -30.763
bonds (distance) P-C4' energy: -39.569
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -37.171
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: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -519.996078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.996078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.996078 (E_RNA)
where:
Base-Base interactions energy: -354.021
where: short stacking energy: -139.565
Base-Backbone interact. energy: -0.187
local terms energy: -165.787481
where:
bonds (distance) C4'-P energy: -30.803
bonds (distance) P-C4' energy: -32.468
flat angles C4'-P-C4' energy: -34.833
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -38.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -460.280950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.280950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.280950 (E_RNA)
where:
Base-Base interactions energy: -308.961
where: short stacking energy: -134.224
Base-Backbone interact. energy: -0.113
local terms energy: -151.277582
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -37.879
flat angles C4'-P-C4' energy: -33.391
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -33.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.071 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -435.609263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.609263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.609263 (E_RNA)
where:
Base-Base interactions energy: -290.968
where: short stacking energy: -127.041
Base-Backbone interact. energy: -0.164
local terms energy: -144.477301
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -37.898
flat angles C4'-P-C4' energy: -33.346
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -26.545
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: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -325.687678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.687678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.687678 (E_RNA)
where:
Base-Base interactions energy: -194.156
where: short stacking energy: -83.516
Base-Backbone interact. energy: -0.814
local terms energy: -130.992898
where:
bonds (distance) C4'-P energy: -26.332
bonds (distance) P-C4' energy: -26.737
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.276 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -247.789170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.789170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.789170 (E_RNA)
where:
Base-Base interactions energy: -122.853
where: short stacking energy: -66.121
Base-Backbone interact. energy: -1.109
local terms energy: -123.985245
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -38.171
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.158 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -221.721427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.721427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.721427 (E_RNA)
where:
Base-Base interactions energy: -110.643
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.897
local terms energy: -110.308587
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.127 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -212.661758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.661758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.661758 (E_RNA)
where:
Base-Base interactions energy: -114.098
where: short stacking energy: -55.967
Base-Backbone interact. energy: -1.456
local terms energy: -97.107687
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: 2.159
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: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -593.509421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.509421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.509421 (E_RNA)
where:
Base-Base interactions energy: -419.615
where: short stacking energy: -151.779
Base-Backbone interact. energy: -0.498
local terms energy: -173.397001
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -39.420
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -26.602
tors. eta vs tors. theta energy: -41.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -583.175991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.175991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.175991 (E_RNA)
where:
Base-Base interactions energy: -407.220
where: short stacking energy: -168.913
Base-Backbone interact. energy: -0.596
local terms energy: -175.359683
where:
bonds (distance) C4'-P energy: -29.477
bonds (distance) P-C4' energy: -41.481
flat angles C4'-P-C4' energy: -38.838
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -40.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -525.865288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.865288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.865288 (E_RNA)
where:
Base-Base interactions energy: -351.037
where: short stacking energy: -146.499
Base-Backbone interact. energy: -0.600
local terms energy: -174.227869
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -34.354
flat angles C4'-P-C4' energy: -45.149
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -35.907
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: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -502.103355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.103355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.103355 (E_RNA)
where:
Base-Base interactions energy: -332.464
where: short stacking energy: -129.161
Base-Backbone interact. energy: -1.917
local terms energy: -167.722928
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -40.234
flat angles C4'-P-C4' energy: -38.288
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -38.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -440.984127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.984127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.984127 (E_RNA)
where:
Base-Base interactions energy: -294.679
where: short stacking energy: -123.590
Base-Backbone interact. energy: 1.827
local terms energy: -148.132454
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -28.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -412.881021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.881021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.881021 (E_RNA)
where:
Base-Base interactions energy: -275.201
where: short stacking energy: -121.749
Base-Backbone interact. energy: 1.891
local terms energy: -139.570723
where:
bonds (distance) C4'-P energy: -27.482
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -36.172
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -315.579657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.579657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.579657 (E_RNA)
where:
Base-Base interactions energy: -195.070
where: short stacking energy: -80.443
Base-Backbone interact. energy: 0.373
local terms energy: -120.883084
where:
bonds (distance) C4'-P energy: -37.010
bonds (distance) P-C4' energy: -36.717
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -8.300
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: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -247.825215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.825215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.825215 (E_RNA)
where:
Base-Base interactions energy: -133.895
where: short stacking energy: -86.409
Base-Backbone interact. energy: -0.269
local terms energy: -113.661643
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -14.977
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: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -234.578711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.578711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.578711 (E_RNA)
where:
Base-Base interactions energy: -110.165
where: short stacking energy: -62.807
Base-Backbone interact. energy: -0.090
local terms energy: -124.323717
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -40.845
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -226.128328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.128328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.128328 (E_RNA)
where:
Base-Base interactions energy: -117.069
where: short stacking energy: -68.522
Base-Backbone interact. energy: 1.184
local terms energy: -110.242911
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -573.326897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.326897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.326897 (E_RNA)
where:
Base-Base interactions energy: -395.350
where: short stacking energy: -160.381
Base-Backbone interact. energy: -1.548
local terms energy: -176.429342
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -40.072
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -42.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -591.217362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.217362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.217362 (E_RNA)
where:
Base-Base interactions energy: -403.291
where: short stacking energy: -167.271
Base-Backbone interact. energy: -0.945
local terms energy: -186.981887
where:
bonds (distance) C4'-P energy: -36.474
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -38.670
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -49.342
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: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -529.046327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.046327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.046327 (E_RNA)
where:
Base-Base interactions energy: -358.546
where: short stacking energy: -143.168
Base-Backbone interact. energy: -2.574
local terms energy: -167.926810
where:
bonds (distance) C4'-P energy: -34.041
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -42.974
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -41.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -504.842936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.842936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.842936 (E_RNA)
where:
Base-Base interactions energy: -331.866
where: short stacking energy: -149.096
Base-Backbone interact. energy: -0.412
local terms energy: -172.564820
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -36.497
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -46.092
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: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -469.484616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.484616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.484616 (E_RNA)
where:
Base-Base interactions energy: -320.254
where: short stacking energy: -122.573
Base-Backbone interact. energy: -1.084
local terms energy: -148.146269
where:
bonds (distance) C4'-P energy: -30.392
bonds (distance) P-C4' energy: -35.078
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -28.696
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: 365
Temperature: 1.150000
Total energy: -398.124680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.124680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.124680 (E_RNA)
where:
Base-Base interactions energy: -251.690
where: short stacking energy: -94.217
Base-Backbone interact. energy: -1.554
local terms energy: -144.880178
where:
bonds (distance) C4'-P energy: -36.517
bonds (distance) P-C4' energy: -34.526
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -333.190432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.190432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.190432 (E_RNA)
where:
Base-Base interactions energy: -192.707
where: short stacking energy: -78.319
Base-Backbone interact. energy: 0.665
local terms energy: -141.148094
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -35.208
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -12.396
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: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -239.523238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.523238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.523238 (E_RNA)
where:
Base-Base interactions energy: -124.554
where: short stacking energy: -62.175
Base-Backbone interact. energy: 0.424
local terms energy: -115.393098
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -229.072929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.072929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.072929 (E_RNA)
where:
Base-Base interactions energy: -116.427
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.407
local terms energy: -112.238886
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -10.641
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: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -240.948104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.948104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.948104 (E_RNA)
where:
Base-Base interactions energy: -131.024
where: short stacking energy: -68.613
Base-Backbone interact. energy: 4.055
local terms energy: -113.979880
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -601.476511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.476511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.476511 (E_RNA)
where:
Base-Base interactions energy: -421.481
where: short stacking energy: -170.455
Base-Backbone interact. energy: -0.973
local terms energy: -179.021717
where:
bonds (distance) C4'-P energy: -36.638
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -42.348
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -44.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -575.372414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.372414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.372414 (E_RNA)
where:
Base-Base interactions energy: -399.899
where: short stacking energy: -159.300
Base-Backbone interact. energy: -1.427
local terms energy: -174.046418
where:
bonds (distance) C4'-P energy: -35.224
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -29.192
tors. eta vs tors. theta energy: -44.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -532.428958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.428958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.428958 (E_RNA)
where:
Base-Base interactions energy: -366.003
where: short stacking energy: -145.042
Base-Backbone interact. energy: -0.966
local terms energy: -165.459871
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -37.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -504.878072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.878072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.878072 (E_RNA)
where:
Base-Base interactions energy: -337.078
where: short stacking energy: -131.388
Base-Backbone interact. energy: -1.258
local terms energy: -166.541401
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -40.797
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -32.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -452.063659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.063659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.063659 (E_RNA)
where:
Base-Base interactions energy: -292.221
where: short stacking energy: -109.985
Base-Backbone interact. energy: 0.119
local terms energy: -159.961526
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -44.584
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -425.963281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.963281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.963281 (E_RNA)
where:
Base-Base interactions energy: -283.694
where: short stacking energy: -109.022
Base-Backbone interact. energy: -1.537
local terms energy: -140.732600
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -36.867
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -30.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -342.421013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.421013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.421013 (E_RNA)
where:
Base-Base interactions energy: -209.296
where: short stacking energy: -81.904
Base-Backbone interact. energy: -1.439
local terms energy: -131.685643
where:
bonds (distance) C4'-P energy: -37.992
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -268.988084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.988084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.988084 (E_RNA)
where:
Base-Base interactions energy: -151.942
where: short stacking energy: -69.463
Base-Backbone interact. energy: -1.776
local terms energy: -116.199057
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -22.200
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.929 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -228.482081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.482081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.482081 (E_RNA)
where:
Base-Base interactions energy: -117.430
where: short stacking energy: -69.546
Base-Backbone interact. energy: 5.544
local terms energy: -116.595831
where:
bonds (distance) C4'-P energy: -22.682
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -207.196855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.196855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.196855 (E_RNA)
where:
Base-Base interactions energy: -101.748
where: short stacking energy: -42.416
Base-Backbone interact. energy: -0.649
local terms energy: -104.799636
where:
bonds (distance) C4'-P energy: -25.880
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: 4.316
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: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -588.184127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.184127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.184127 (E_RNA)
where:
Base-Base interactions energy: -409.368
where: short stacking energy: -161.648
Base-Backbone interact. energy: -1.662
local terms energy: -177.154024
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -37.367
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -45.883
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: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -575.486194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.486194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.486194 (E_RNA)
where:
Base-Base interactions energy: -392.107
where: short stacking energy: -160.155
Base-Backbone interact. energy: 0.338
local terms energy: -183.717006
where:
bonds (distance) C4'-P energy: -34.085
bonds (distance) P-C4' energy: -35.528
flat angles C4'-P-C4' energy: -41.253
flat angles P-C4'-P energy: -23.762
tors. eta vs tors. theta energy: -49.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -526.397008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.397008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.397008 (E_RNA)
where:
Base-Base interactions energy: -371.504
where: short stacking energy: -155.935
Base-Backbone interact. energy: 0.069
local terms energy: -154.961761
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -30.268
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -40.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -514.675008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.675008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.675008 (E_RNA)
where:
Base-Base interactions energy: -364.388
where: short stacking energy: -136.356
Base-Backbone interact. energy: -0.829
local terms energy: -149.520094
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: -34.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -442.331068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.331068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.331068 (E_RNA)
where:
Base-Base interactions energy: -296.396
where: short stacking energy: -115.704
Base-Backbone interact. energy: -0.082
local terms energy: -145.853596
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -466.956548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.956548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.956548 (E_RNA)
where:
Base-Base interactions energy: -313.780
where: short stacking energy: -130.949
Base-Backbone interact. energy: 0.167
local terms energy: -153.344481
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -38.763
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: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -358.033581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.033581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.033581 (E_RNA)
where:
Base-Base interactions energy: -227.263
where: short stacking energy: -94.767
Base-Backbone interact. energy: -0.731
local terms energy: -130.039209
where:
bonds (distance) C4'-P energy: -30.989
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -253.101776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.101776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.101776 (E_RNA)
where:
Base-Base interactions energy: -122.161
where: short stacking energy: -67.723
Base-Backbone interact. energy: -0.240
local terms energy: -130.701092
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -18.325
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: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -224.394648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.394648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.394648 (E_RNA)
where:
Base-Base interactions energy: -115.370
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.693
local terms energy: -108.331876
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -37.484
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -240.080245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.080245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.080245 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -63.616
Base-Backbone interact. energy: -0.756
local terms energy: -112.313736
where:
bonds (distance) C4'-P energy: -33.507
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -13.951
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: 0.179 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -589.666057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.666057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.666057 (E_RNA)
where:
Base-Base interactions energy: -411.318
where: short stacking energy: -174.197
Base-Backbone interact. energy: -0.823
local terms energy: -177.890303
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -29.909
tors. eta vs tors. theta energy: -47.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.365 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -572.874328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.874328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.874328 (E_RNA)
where:
Base-Base interactions energy: -402.422
where: short stacking energy: -153.539
Base-Backbone interact. energy: -0.267
local terms energy: -170.309980
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -26.529
tors. eta vs tors. theta energy: -42.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.124 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -525.239188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.239188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.239188 (E_RNA)
where:
Base-Base interactions energy: -356.872
where: short stacking energy: -151.373
Base-Backbone interact. energy: -1.440
local terms energy: -166.927415
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -34.727
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -43.480
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: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -513.725187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.725187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.725187 (E_RNA)
where:
Base-Base interactions energy: -344.964
where: short stacking energy: -148.095
Base-Backbone interact. energy: -0.659
local terms energy: -168.102515
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -35.635
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -479.133430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.133430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.133430 (E_RNA)
where:
Base-Base interactions energy: -313.964
where: short stacking energy: -127.666
Base-Backbone interact. energy: -0.365
local terms energy: -164.804665
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -37.283
flat angles C4'-P-C4' energy: -33.307
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -33.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -427.112093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.112093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.112093 (E_RNA)
where:
Base-Base interactions energy: -273.247
where: short stacking energy: -115.804
Base-Backbone interact. energy: -1.127
local terms energy: -152.738162
where:
bonds (distance) C4'-P energy: -39.662
bonds (distance) P-C4' energy: -35.705
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -325.009913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.009913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.009913 (E_RNA)
where:
Base-Base interactions energy: -185.279
where: short stacking energy: -95.594
Base-Backbone interact. energy: -0.201
local terms energy: -142.411441
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -27.752
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.882 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -254.385046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.385046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.385046 (E_RNA)
where:
Base-Base interactions energy: -151.263
where: short stacking energy: -66.628
Base-Backbone interact. energy: -1.236
local terms energy: -101.886489
where:
bonds (distance) C4'-P energy: -30.879
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -25.799
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -3.596
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: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -239.436937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.436937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.436937 (E_RNA)
where:
Base-Base interactions energy: -124.870
where: short stacking energy: -83.232
Base-Backbone interact. energy: 0.014
local terms energy: -116.064318
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.483 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -223.598038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.598038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.598038 (E_RNA)
where:
Base-Base interactions energy: -112.179
where: short stacking energy: -55.792
Base-Backbone interact. energy: -0.787
local terms energy: -110.631614
where:
bonds (distance) C4'-P energy: -36.200
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: 0.145
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: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -581.224775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.224775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.224775 (E_RNA)
where:
Base-Base interactions energy: -398.442
where: short stacking energy: -161.740
Base-Backbone interact. energy: 1.470
local terms energy: -184.252827
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -42.431
flat angles C4'-P-C4' energy: -34.855
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -49.541
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: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -575.133913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.133913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.133913 (E_RNA)
where:
Base-Base interactions energy: -408.156
where: short stacking energy: -154.260
Base-Backbone interact. energy: -1.446
local terms energy: -165.532676
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -32.934
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -46.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -517.966061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.966061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.966061 (E_RNA)
where:
Base-Base interactions energy: -356.791
where: short stacking energy: -142.871
Base-Backbone interact. energy: -0.801
local terms energy: -160.374095
where:
bonds (distance) C4'-P energy: -31.573
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -34.223
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -42.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -506.911021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.911021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.911021 (E_RNA)
where:
Base-Base interactions energy: -343.852
where: short stacking energy: -133.211
Base-Backbone interact. energy: -1.819
local terms energy: -162.331318
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -33.791
flat angles P-C4'-P energy: -32.136
tors. eta vs tors. theta energy: -35.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.090 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -474.635606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.635606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.635606 (E_RNA)
where:
Base-Base interactions energy: -322.085
where: short stacking energy: -138.336
Base-Backbone interact. energy: -1.176
local terms energy: -151.374688
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -39.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -419.887407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.887407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.887407 (E_RNA)
where:
Base-Base interactions energy: -265.888
where: short stacking energy: -107.209
Base-Backbone interact. energy: 0.099
local terms energy: -154.098082
where:
bonds (distance) C4'-P energy: -35.298
bonds (distance) P-C4' energy: -37.001
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -354.243746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.243746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.243746 (E_RNA)
where:
Base-Base interactions energy: -223.673
where: short stacking energy: -104.858
Base-Backbone interact. energy: 1.119
local terms energy: -131.690738
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -268.792229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.792229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.792229 (E_RNA)
where:
Base-Base interactions energy: -140.363
where: short stacking energy: -88.573
Base-Backbone interact. energy: -1.394
local terms energy: -127.035415
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -36.603
flat angles C4'-P-C4' energy: -36.072
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -233.531833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.531833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.531833 (E_RNA)
where:
Base-Base interactions energy: -127.533
where: short stacking energy: -68.885
Base-Backbone interact. energy: 0.547
local terms energy: -107.031037
where:
bonds (distance) C4'-P energy: -25.193
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -29.591
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.485 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -238.536834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.536834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.536834 (E_RNA)
where:
Base-Base interactions energy: -141.306
where: short stacking energy: -58.961
Base-Backbone interact. energy: -0.479
local terms energy: -96.752416
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -3.045
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: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -588.228011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.228011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.228011 (E_RNA)
where:
Base-Base interactions energy: -403.528
where: short stacking energy: -170.360
Base-Backbone interact. energy: -1.179
local terms energy: -183.520858
where:
bonds (distance) C4'-P energy: -34.736
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -38.402
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -46.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -571.356992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.356992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.356992 (E_RNA)
where:
Base-Base interactions energy: -399.163
where: short stacking energy: -159.578
Base-Backbone interact. energy: -2.217
local terms energy: -169.977323
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -38.103
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -42.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -540.018692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.018692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.018692 (E_RNA)
where:
Base-Base interactions energy: -363.090
where: short stacking energy: -147.012
Base-Backbone interact. energy: 0.130
local terms energy: -177.059425
where:
bonds (distance) C4'-P energy: -32.075
bonds (distance) P-C4' energy: -38.540
flat angles C4'-P-C4' energy: -39.395
flat angles P-C4'-P energy: -25.865
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -512.228717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.228717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.228717 (E_RNA)
where:
Base-Base interactions energy: -347.520
where: short stacking energy: -134.197
Base-Backbone interact. energy: -0.862
local terms energy: -163.846512
where:
bonds (distance) C4'-P energy: -34.325
bonds (distance) P-C4' energy: -37.828
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -39.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -456.296406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.296406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.296406 (E_RNA)
where:
Base-Base interactions energy: -303.096
where: short stacking energy: -119.306
Base-Backbone interact. energy: 0.369
local terms energy: -153.569288
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -31.335
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -33.356
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: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -457.248410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.248410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.248410 (E_RNA)
where:
Base-Base interactions energy: -310.648
where: short stacking energy: -126.080
Base-Backbone interact. energy: -0.946
local terms energy: -145.654808
where:
bonds (distance) C4'-P energy: -30.403
bonds (distance) P-C4' energy: -34.707
flat angles C4'-P-C4' energy: -29.034
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -31.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -384.909689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.909689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.909689 (E_RNA)
where:
Base-Base interactions energy: -230.353
where: short stacking energy: -113.355
Base-Backbone interact. energy: -1.831
local terms energy: -152.726378
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -31.810
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -26.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -257.871561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.871561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.871561 (E_RNA)
where:
Base-Base interactions energy: -130.018
where: short stacking energy: -66.164
Base-Backbone interact. energy: -0.521
local terms energy: -127.332471
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -237.267405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.267405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.267405 (E_RNA)
where:
Base-Base interactions energy: -124.029
where: short stacking energy: -60.016
Base-Backbone interact. energy: -0.455
local terms energy: -112.783188
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -29.309
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: 3.764
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: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -220.927741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.927741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.927741 (E_RNA)
where:
Base-Base interactions energy: -106.952
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.553
local terms energy: -113.422498
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -33.385
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -582.873283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.873283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.873283 (E_RNA)
where:
Base-Base interactions energy: -402.390
where: short stacking energy: -163.377
Base-Backbone interact. energy: -0.565
local terms energy: -179.919274
where:
bonds (distance) C4'-P energy: -32.282
bonds (distance) P-C4' energy: -36.964
flat angles C4'-P-C4' energy: -38.684
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -48.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -547.639207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.639207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.639207 (E_RNA)
where:
Base-Base interactions energy: -382.255
where: short stacking energy: -153.229
Base-Backbone interact. energy: -0.633
local terms energy: -164.751523
where:
bonds (distance) C4'-P energy: -28.713
bonds (distance) P-C4' energy: -33.062
flat angles C4'-P-C4' energy: -35.408
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -47.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -526.159306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.159306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.159306 (E_RNA)
where:
Base-Base interactions energy: -341.312
where: short stacking energy: -143.514
Base-Backbone interact. energy: -3.039
local terms energy: -181.808387
where:
bonds (distance) C4'-P energy: -36.709
bonds (distance) P-C4' energy: -37.718
flat angles C4'-P-C4' energy: -37.563
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -47.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -515.823821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.823821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.823821 (E_RNA)
where:
Base-Base interactions energy: -353.047
where: short stacking energy: -140.095
Base-Backbone interact. energy: -1.741
local terms energy: -161.036231
where:
bonds (distance) C4'-P energy: -27.471
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -40.130
flat angles P-C4'-P energy: -29.047
tors. eta vs tors. theta energy: -36.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -438.503902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.503902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.503902 (E_RNA)
where:
Base-Base interactions energy: -300.511
where: short stacking energy: -115.304
Base-Backbone interact. energy: -0.272
local terms energy: -137.720808
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -33.552
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -25.983
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: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -383.616384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.616384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.616384 (E_RNA)
where:
Base-Base interactions energy: -234.234
where: short stacking energy: -99.663
Base-Backbone interact. energy: -0.593
local terms energy: -149.152247
where:
bonds (distance) C4'-P energy: -33.623
bonds (distance) P-C4' energy: -38.992
flat angles C4'-P-C4' energy: -30.691
flat angles P-C4'-P energy: -23.275
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.362 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -411.052045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.052045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.052045 (E_RNA)
where:
Base-Base interactions energy: -275.664
where: short stacking energy: -111.693
Base-Backbone interact. energy: -0.229
local terms energy: -135.158688
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -252.313657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.313657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.313657 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -55.327
Base-Backbone interact. energy: -1.340
local terms energy: -125.628448
where:
bonds (distance) C4'-P energy: -33.790
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -236.477941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.477941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.477941 (E_RNA)
where:
Base-Base interactions energy: -112.819
where: short stacking energy: -58.280
Base-Backbone interact. energy: -2.148
local terms energy: -121.511249
where:
bonds (distance) C4'-P energy: -31.568
bonds (distance) P-C4' energy: -36.853
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -201.825727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.825727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.825727 (E_RNA)
where:
Base-Base interactions energy: -105.737
where: short stacking energy: -48.344
Base-Backbone interact. energy: -0.405
local terms energy: -95.684435
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -28.771
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: 2.304
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: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -590.097860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.097860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.097860 (E_RNA)
where:
Base-Base interactions energy: -415.828
where: short stacking energy: -159.395
Base-Backbone interact. energy: -0.604
local terms energy: -173.665066
where:
bonds (distance) C4'-P energy: -33.840
bonds (distance) P-C4' energy: -35.198
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -48.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -580.132599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.132599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.132599 (E_RNA)
where:
Base-Base interactions energy: -395.911
where: short stacking energy: -165.881
Base-Backbone interact. energy: -0.567
local terms energy: -183.655247
where:
bonds (distance) C4'-P energy: -37.170
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -39.469
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -46.098
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: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -533.427974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.427974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.427974 (E_RNA)
where:
Base-Base interactions energy: -358.514
where: short stacking energy: -139.898
Base-Backbone interact. energy: -1.742
local terms energy: -173.172429
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -32.336
flat angles C4'-P-C4' energy: -38.257
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -40.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -514.259306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.259306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.259306 (E_RNA)
where:
Base-Base interactions energy: -347.656
where: short stacking energy: -141.385
Base-Backbone interact. energy: -1.373
local terms energy: -165.230301
where:
bonds (distance) C4'-P energy: -37.044
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -41.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -452.457136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.457136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.457136 (E_RNA)
where:
Base-Base interactions energy: -306.236
where: short stacking energy: -137.042
Base-Backbone interact. energy: 0.004
local terms energy: -146.224799
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -32.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -352.917804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.917804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.917804 (E_RNA)
where:
Base-Base interactions energy: -211.413
where: short stacking energy: -118.025
Base-Backbone interact. energy: -0.842
local terms energy: -140.662811
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -33.220
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -30.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -402.878601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.878601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.878601 (E_RNA)
where:
Base-Base interactions energy: -259.080
where: short stacking energy: -111.648
Base-Backbone interact. energy: -0.167
local terms energy: -143.632223
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -36.084
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -28.537
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: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -241.918122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.918122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.918122 (E_RNA)
where:
Base-Base interactions energy: -122.222
where: short stacking energy: -71.212
Base-Backbone interact. energy: -0.386
local terms energy: -119.309993
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -19.737
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: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -236.336680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.336680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.336680 (E_RNA)
where:
Base-Base interactions energy: -122.953
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.108
local terms energy: -114.106204
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -35.266
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.831 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -173.111773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.111773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.111773 (E_RNA)
where:
Base-Base interactions energy: -88.583
where: short stacking energy: -41.704
Base-Backbone interact. energy: -0.318
local terms energy: -84.210497
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: 9.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -610.012105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.012105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.012105 (E_RNA)
where:
Base-Base interactions energy: -414.474
where: short stacking energy: -167.657
Base-Backbone interact. energy: -0.023
local terms energy: -195.514145
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: -54.515
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: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -573.304227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.304227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.304227 (E_RNA)
where:
Base-Base interactions energy: -423.047
where: short stacking energy: -161.720
Base-Backbone interact. energy: 2.580
local terms energy: -152.837418
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -25.459
tors. eta vs tors. theta energy: -44.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -526.456467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.456467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.456467 (E_RNA)
where:
Base-Base interactions energy: -370.724
where: short stacking energy: -144.512
Base-Backbone interact. energy: 1.546
local terms energy: -157.278803
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -35.059
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: -34.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -501.939300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.939300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.939300 (E_RNA)
where:
Base-Base interactions energy: -343.269
where: short stacking energy: -129.907
Base-Backbone interact. energy: -2.787
local terms energy: -155.882493
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -32.391
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -27.550
tors. eta vs tors. theta energy: -25.704
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: 373
Temperature: 1.100000
Total energy: -478.367749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.367749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.367749 (E_RNA)
where:
Base-Base interactions energy: -319.496
where: short stacking energy: -137.155
Base-Backbone interact. energy: -2.336
local terms energy: -156.535997
where:
bonds (distance) C4'-P energy: -35.146
bonds (distance) P-C4' energy: -34.132
flat angles C4'-P-C4' energy: -34.017
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -35.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -436.647580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.647580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.647580 (E_RNA)
where:
Base-Base interactions energy: -280.339
where: short stacking energy: -119.483
Base-Backbone interact. energy: -0.345
local terms energy: -155.963171
where:
bonds (distance) C4'-P energy: -29.604
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -31.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -336.166623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.166623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.166623 (E_RNA)
where:
Base-Base interactions energy: -190.156
where: short stacking energy: -84.131
Base-Backbone interact. energy: -0.974
local terms energy: -145.036186
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -35.360
flat angles C4'-P-C4' energy: -37.666
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -242.602791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.602791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.602791 (E_RNA)
where:
Base-Base interactions energy: -118.094
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.590
local terms energy: -123.918588
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -8.214
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: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -240.909838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.909838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.909838 (E_RNA)
where:
Base-Base interactions energy: -142.585
where: short stacking energy: -68.152
Base-Backbone interact. energy: 1.847
local terms energy: -100.171464
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -34.940
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -158.314344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.314344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.314344 (E_RNA)
where:
Base-Base interactions energy: -58.115
where: short stacking energy: -47.035
Base-Backbone interact. energy: 0.844
local terms energy: -101.043692
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -1.602
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: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -595.722968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.722968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.722968 (E_RNA)
where:
Base-Base interactions energy: -417.621
where: short stacking energy: -155.345
Base-Backbone interact. energy: -0.384
local terms energy: -177.718283
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -45.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -568.082739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.082739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.082739 (E_RNA)
where:
Base-Base interactions energy: -390.060
where: short stacking energy: -143.428
Base-Backbone interact. energy: -1.370
local terms energy: -176.653229
where:
bonds (distance) C4'-P energy: -36.358
bonds (distance) P-C4' energy: -32.020
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -27.973
tors. eta vs tors. theta energy: -42.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -543.763494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.763494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.763494 (E_RNA)
where:
Base-Base interactions energy: -383.137
where: short stacking energy: -147.641
Base-Backbone interact. energy: -0.837
local terms energy: -159.790228
where:
bonds (distance) C4'-P energy: -36.566
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -39.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -491.856977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.856977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.856977 (E_RNA)
where:
Base-Base interactions energy: -331.228
where: short stacking energy: -136.519
Base-Backbone interact. energy: -0.823
local terms energy: -159.805504
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -39.364
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -30.024
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: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -452.832598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.832598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.832598 (E_RNA)
where:
Base-Base interactions energy: -313.333
where: short stacking energy: -122.010
Base-Backbone interact. energy: -0.458
local terms energy: -139.041357
where:
bonds (distance) C4'-P energy: -27.076
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -22.808
tors. eta vs tors. theta energy: -27.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -472.512940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.512940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.512940 (E_RNA)
where:
Base-Base interactions energy: -323.325
where: short stacking energy: -134.799
Base-Backbone interact. energy: -0.409
local terms energy: -148.778457
where:
bonds (distance) C4'-P energy: -24.890
bonds (distance) P-C4' energy: -32.092
flat angles C4'-P-C4' energy: -35.114
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -30.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -327.698945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.698945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.698945 (E_RNA)
where:
Base-Base interactions energy: -174.629
where: short stacking energy: -87.110
Base-Backbone interact. energy: -1.458
local terms energy: -151.709183
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -42.143
flat angles C4'-P-C4' energy: -32.932
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.097 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -244.937519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.937519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.937519 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -74.305
Base-Backbone interact. energy: -0.581
local terms energy: -116.537551
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -8.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -235.147471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.147471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.147471 (E_RNA)
where:
Base-Base interactions energy: -126.155
where: short stacking energy: -69.108
Base-Backbone interact. energy: -0.291
local terms energy: -108.702166
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -171.431747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.431747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.431747 (E_RNA)
where:
Base-Base interactions energy: -65.380
where: short stacking energy: -53.115
Base-Backbone interact. energy: 0.329
local terms energy: -106.943191
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -26.167
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.563 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -601.765892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.765892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.765892 (E_RNA)
where:
Base-Base interactions energy: -420.491
where: short stacking energy: -169.024
Base-Backbone interact. energy: 4.334
local terms energy: -185.609705
where:
bonds (distance) C4'-P energy: -36.984
bonds (distance) P-C4' energy: -34.198
flat angles C4'-P-C4' energy: -34.107
flat angles P-C4'-P energy: -29.449
tors. eta vs tors. theta energy: -50.872
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: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -550.384167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.384167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.384167 (E_RNA)
where:
Base-Base interactions energy: -374.872
where: short stacking energy: -152.150
Base-Backbone interact. energy: -0.157
local terms energy: -175.354944
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -39.198
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: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -565.499276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.499276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.499276 (E_RNA)
where:
Base-Base interactions energy: -389.568
where: short stacking energy: -162.219
Base-Backbone interact. energy: 3.144
local terms energy: -179.075201
where:
bonds (distance) C4'-P energy: -38.149
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -35.322
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -50.291
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: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -502.172021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.172021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.172021 (E_RNA)
where:
Base-Base interactions energy: -346.292
where: short stacking energy: -121.992
Base-Backbone interact. energy: -1.697
local terms energy: -154.183292
where:
bonds (distance) C4'-P energy: -34.719
bonds (distance) P-C4' energy: -35.514
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -29.707
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: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -466.692043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.692043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.692043 (E_RNA)
where:
Base-Base interactions energy: -299.668
where: short stacking energy: -116.075
Base-Backbone interact. energy: -0.412
local terms energy: -166.611733
where:
bonds (distance) C4'-P energy: -34.718
bonds (distance) P-C4' energy: -37.289
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -37.523
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: 375
Temperature: 1.150000
Total energy: -447.993768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.993768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.993768 (E_RNA)
where:
Base-Base interactions energy: -306.539
where: short stacking energy: -115.490
Base-Backbone interact. energy: -0.566
local terms energy: -140.889248
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -335.440853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.440853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.440853 (E_RNA)
where:
Base-Base interactions energy: -212.696
where: short stacking energy: -91.068
Base-Backbone interact. energy: 0.606
local terms energy: -123.349986
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -27.563
flat angles P-C4'-P energy: -19.466
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: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -259.230457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.230457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.230457 (E_RNA)
where:
Base-Base interactions energy: -148.358
where: short stacking energy: -68.169
Base-Backbone interact. energy: -0.804
local terms energy: -110.068798
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -33.100
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -233.335597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.335597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.335597 (E_RNA)
where:
Base-Base interactions energy: -103.904
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.819
local terms energy: -128.611899
where:
bonds (distance) C4'-P energy: -26.885
bonds (distance) P-C4' energy: -33.569
flat angles C4'-P-C4' energy: -38.370
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -168.873083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.873083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.873083 (E_RNA)
where:
Base-Base interactions energy: -61.811
where: short stacking energy: -50.692
Base-Backbone interact. energy: 0.223
local terms energy: -107.285021
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -38.666
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: 6.115
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: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -611.746187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.746187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.746187 (E_RNA)
where:
Base-Base interactions energy: -421.804
where: short stacking energy: -166.679
Base-Backbone interact. energy: -1.398
local terms energy: -188.544067
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -38.628
flat angles P-C4'-P energy: -28.241
tors. eta vs tors. theta energy: -47.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -564.282821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.282821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.282821 (E_RNA)
where:
Base-Base interactions energy: -395.857
where: short stacking energy: -141.446
Base-Backbone interact. energy: 0.188
local terms energy: -168.614106
where:
bonds (distance) C4'-P energy: -41.281
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -38.492
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: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -539.340280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.340280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.340280 (E_RNA)
where:
Base-Base interactions energy: -368.836
where: short stacking energy: -139.887
Base-Backbone interact. energy: -0.593
local terms energy: -169.911046
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -37.073
flat angles C4'-P-C4' energy: -37.655
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -35.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -504.735679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.735679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.735679 (E_RNA)
where:
Base-Base interactions energy: -343.967
where: short stacking energy: -133.674
Base-Backbone interact. energy: -0.918
local terms energy: -159.850841
where:
bonds (distance) C4'-P energy: -37.659
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -32.700
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -32.877
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: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -458.398612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.398612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.398612 (E_RNA)
where:
Base-Base interactions energy: -309.056
where: short stacking energy: -118.181
Base-Backbone interact. energy: 0.044
local terms energy: -149.386852
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -33.650
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -30.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -462.018897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.018897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.018897 (E_RNA)
where:
Base-Base interactions energy: -295.273
where: short stacking energy: -114.552
Base-Backbone interact. energy: -0.501
local terms energy: -166.244904
where:
bonds (distance) C4'-P energy: -33.485
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -36.885
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: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -344.432764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.432764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.432764 (E_RNA)
where:
Base-Base interactions energy: -195.692
where: short stacking energy: -100.630
Base-Backbone interact. energy: -1.512
local terms energy: -147.289862
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.061 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -237.469281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.469281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.469281 (E_RNA)
where:
Base-Base interactions energy: -120.334
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.486
local terms energy: -116.649752
where:
bonds (distance) C4'-P energy: -34.760
bonds (distance) P-C4' energy: -33.431
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -7.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -255.659892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.659892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.659892 (E_RNA)
where:
Base-Base interactions energy: -137.313
where: short stacking energy: -73.704
Base-Backbone interact. energy: 0.359
local terms energy: -118.706213
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -32.629
flat angles C4'-P-C4' energy: -27.822
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -9.695
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: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -159.445195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.445195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.445195 (E_RNA)
where:
Base-Base interactions energy: -61.823
where: short stacking energy: -45.171
Base-Backbone interact. energy: -0.800
local terms energy: -96.822676
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: 5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -591.031090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.031090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.031090 (E_RNA)
where:
Base-Base interactions energy: -409.832
where: short stacking energy: -161.465
Base-Backbone interact. energy: 0.416
local terms energy: -182.596407
where:
bonds (distance) C4'-P energy: -34.805
bonds (distance) P-C4' energy: -39.407
flat angles C4'-P-C4' energy: -35.958
flat angles P-C4'-P energy: -30.208
tors. eta vs tors. theta energy: -42.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.982 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -558.976117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.976117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.976117 (E_RNA)
where:
Base-Base interactions energy: -381.476
where: short stacking energy: -144.979
Base-Backbone interact. energy: -0.772
local terms energy: -176.728846
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -35.489
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -41.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -553.892349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.892349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.892349 (E_RNA)
where:
Base-Base interactions energy: -394.599
where: short stacking energy: -136.828
Base-Backbone interact. energy: -0.654
local terms energy: -158.639365
where:
bonds (distance) C4'-P energy: -33.047
bonds (distance) P-C4' energy: -35.632
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -38.043
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: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -492.938591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.938591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.938591 (E_RNA)
where:
Base-Base interactions energy: -332.535
where: short stacking energy: -120.465
Base-Backbone interact. energy: -0.358
local terms energy: -160.046154
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -38.150
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -40.815
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: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -452.482114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.482114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.482114 (E_RNA)
where:
Base-Base interactions energy: -296.062
where: short stacking energy: -103.966
Base-Backbone interact. energy: -1.690
local terms energy: -154.730259
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -34.940
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -28.645
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -469.230739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.230739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.230739 (E_RNA)
where:
Base-Base interactions energy: -304.222
where: short stacking energy: -121.002
Base-Backbone interact. energy: -0.533
local terms energy: -164.475469
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -34.812
flat angles C4'-P-C4' energy: -40.334
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -34.349
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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -326.352124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.352124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.352124 (E_RNA)
where:
Base-Base interactions energy: -194.474
where: short stacking energy: -92.190
Base-Backbone interact. energy: -0.905
local terms energy: -130.972873
where:
bonds (distance) C4'-P energy: -31.576
bonds (distance) P-C4' energy: -38.363
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -278.833367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.833367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.833367 (E_RNA)
where:
Base-Base interactions energy: -163.214
where: short stacking energy: -84.447
Base-Backbone interact. energy: 1.394
local terms energy: -117.060448
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.047 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -246.996792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.996792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.996792 (E_RNA)
where:
Base-Base interactions energy: -132.940
where: short stacking energy: -77.055
Base-Backbone interact. energy: 2.327
local terms energy: -116.382860
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -28.129
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -12.927
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: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -156.695435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.695435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.695435 (E_RNA)
where:
Base-Base interactions energy: -51.943
where: short stacking energy: -45.613
Base-Backbone interact. energy: 0.374
local terms energy: -105.127075
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -12.647
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: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -594.724233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.724233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.724233 (E_RNA)
where:
Base-Base interactions energy: -416.881
where: short stacking energy: -165.272
Base-Backbone interact. energy: -1.333
local terms energy: -176.697674
where:
bonds (distance) C4'-P energy: -34.309
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -36.047
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: -50.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.188 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -574.824201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.824201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.824201 (E_RNA)
where:
Base-Base interactions energy: -407.902
where: short stacking energy: -156.214
Base-Backbone interact. energy: -0.138
local terms energy: -166.783464
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -44.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -551.720041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.720041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.720041 (E_RNA)
where:
Base-Base interactions energy: -381.982
where: short stacking energy: -130.596
Base-Backbone interact. energy: -0.018
local terms energy: -169.719947
where:
bonds (distance) C4'-P energy: -36.169
bonds (distance) P-C4' energy: -36.610
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -42.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -482.176010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.176010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.176010 (E_RNA)
where:
Base-Base interactions energy: -315.602
where: short stacking energy: -131.925
Base-Backbone interact. energy: -1.345
local terms energy: -165.228939
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -36.029
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: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -474.719481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.719481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.719481 (E_RNA)
where:
Base-Base interactions energy: -312.746
where: short stacking energy: -120.831
Base-Backbone interact. energy: -1.103
local terms energy: -160.870291
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -33.272
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -36.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -437.777234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.777234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.777234 (E_RNA)
where:
Base-Base interactions energy: -290.466
where: short stacking energy: -120.260
Base-Backbone interact. energy: -0.498
local terms energy: -146.813094
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -40.261
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -31.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -301.472984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.472984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.472984 (E_RNA)
where:
Base-Base interactions energy: -169.019
where: short stacking energy: -89.833
Base-Backbone interact. energy: -0.583
local terms energy: -131.870760
where:
bonds (distance) C4'-P energy: -35.063
bonds (distance) P-C4' energy: -35.868
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -270.942592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.942592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.942592 (E_RNA)
where:
Base-Base interactions energy: -157.912
where: short stacking energy: -71.484
Base-Backbone interact. energy: 0.410
local terms energy: -113.495147
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.055 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -293.398351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.398351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.398351 (E_RNA)
where:
Base-Base interactions energy: -167.936
where: short stacking energy: -93.420
Base-Backbone interact. energy: -0.243
local terms energy: -125.219444
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -24.447
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: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -168.346795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.346795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.346795 (E_RNA)
where:
Base-Base interactions energy: -66.027
where: short stacking energy: -63.484
Base-Backbone interact. energy: 0.753
local terms energy: -103.073669
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: 4.821
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: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -620.611548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.611548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.611548 (E_RNA)
where:
Base-Base interactions energy: -431.103
where: short stacking energy: -174.671
Base-Backbone interact. energy: -0.957
local terms energy: -189.165911
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -36.853
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -52.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.615 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -555.462099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.462099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.462099 (E_RNA)
where:
Base-Base interactions energy: -382.992
where: short stacking energy: -150.590
Base-Backbone interact. energy: -1.270
local terms energy: -171.200975
where:
bonds (distance) C4'-P energy: -35.774
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -41.288
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -38.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -563.091087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.091087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.091087 (E_RNA)
where:
Base-Base interactions energy: -401.179
where: short stacking energy: -160.132
Base-Backbone interact. energy: 0.557
local terms energy: -162.468918
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -38.534
flat angles P-C4'-P energy: -26.545
tors. eta vs tors. theta energy: -41.193
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: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -495.039490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.039490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.039490 (E_RNA)
where:
Base-Base interactions energy: -334.338
where: short stacking energy: -138.890
Base-Backbone interact. energy: -0.080
local terms energy: -160.620834
where:
bonds (distance) C4'-P energy: -36.478
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -36.945
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -29.824
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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -466.981296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.981296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.981296 (E_RNA)
where:
Base-Base interactions energy: -316.717
where: short stacking energy: -130.873
Base-Backbone interact. energy: 5.018
local terms energy: -155.282954
where:
bonds (distance) C4'-P energy: -26.770
bonds (distance) P-C4' energy: -37.476
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -33.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -427.943056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.943056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.943056 (E_RNA)
where:
Base-Base interactions energy: -285.483
where: short stacking energy: -115.329
Base-Backbone interact. energy: -1.255
local terms energy: -141.205810
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -34.828
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -354.688132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.688132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.688132 (E_RNA)
where:
Base-Base interactions energy: -209.221
where: short stacking energy: -99.515
Base-Backbone interact. energy: -1.219
local terms energy: -144.247602
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -289.933868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.933868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.933868 (E_RNA)
where:
Base-Base interactions energy: -169.935
where: short stacking energy: -78.883
Base-Backbone interact. energy: 0.002
local terms energy: -120.000282
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -38.297
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -13.562
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: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -224.426358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.426358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.426358 (E_RNA)
where:
Base-Base interactions energy: -109.889
where: short stacking energy: -68.494
Base-Backbone interact. energy: -0.456
local terms energy: -114.081379
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -30.598
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -154.687266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.687266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.687266 (E_RNA)
where:
Base-Base interactions energy: -59.262
where: short stacking energy: -54.901
Base-Backbone interact. energy: -0.442
local terms energy: -94.984148
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -27.281
flat angles C4'-P-C4' energy: -27.397
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -613.179063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.179063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.179063 (E_RNA)
where:
Base-Base interactions energy: -436.357
where: short stacking energy: -177.075
Base-Backbone interact. energy: -0.983
local terms energy: -175.838601
where:
bonds (distance) C4'-P energy: -29.482
bonds (distance) P-C4' energy: -33.808
flat angles C4'-P-C4' energy: -37.677
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -52.283
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: 380
Temperature: 0.950000
Total energy: -578.207386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.207386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.207386 (E_RNA)
where:
Base-Base interactions energy: -387.772
where: short stacking energy: -146.060
Base-Backbone interact. energy: -1.230
local terms energy: -189.206185
where:
bonds (distance) C4'-P energy: -40.337
bonds (distance) P-C4' energy: -38.583
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -29.350
tors. eta vs tors. theta energy: -46.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -560.719770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.719770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.719770 (E_RNA)
where:
Base-Base interactions energy: -395.724
where: short stacking energy: -146.008
Base-Backbone interact. energy: -1.681
local terms energy: -163.314899
where:
bonds (distance) C4'-P energy: -31.047
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -21.085
tors. eta vs tors. theta energy: -35.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -503.644844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.644844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.644844 (E_RNA)
where:
Base-Base interactions energy: -342.265
where: short stacking energy: -136.423
Base-Backbone interact. energy: -0.841
local terms energy: -161.661909
where:
bonds (distance) C4'-P energy: -30.980
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -34.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.123 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -458.698714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.698714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.698714 (E_RNA)
where:
Base-Base interactions energy: -294.950
where: short stacking energy: -123.941
Base-Backbone interact. energy: -0.624
local terms energy: -163.124747
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -32.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -427.610902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.610902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.610902 (E_RNA)
where:
Base-Base interactions energy: -287.318
where: short stacking energy: -131.747
Base-Backbone interact. energy: -0.215
local terms energy: -140.077729
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -34.122
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: 380
Temperature: 1.200000
Total energy: -355.411333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.411333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.411333 (E_RNA)
where:
Base-Base interactions energy: -218.571
where: short stacking energy: -109.050
Base-Backbone interact. energy: -0.148
local terms energy: -137.254606
where:
bonds (distance) C4'-P energy: -35.681
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.562 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -311.305999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.305999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.305999 (E_RNA)
where:
Base-Base interactions energy: -190.075
where: short stacking energy: -84.063
Base-Backbone interact. energy: 4.075
local terms energy: -125.306078
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -21.354
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: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -209.532389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.532389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.532389 (E_RNA)
where:
Base-Base interactions energy: -119.197
where: short stacking energy: -62.885
Base-Backbone interact. energy: 0.448
local terms energy: -90.783423
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -2.174
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: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -170.361857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.361857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.361857 (E_RNA)
where:
Base-Base interactions energy: -75.870
where: short stacking energy: -59.740
Base-Backbone interact. energy: -0.609
local terms energy: -93.882846
where:
bonds (distance) C4'-P energy: -32.908
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: 5.380
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: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -604.462270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.462270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.462270 (E_RNA)
where:
Base-Base interactions energy: -413.605
where: short stacking energy: -161.543
Base-Backbone interact. energy: -0.678
local terms energy: -190.180084
where:
bonds (distance) C4'-P energy: -36.710
bonds (distance) P-C4' energy: -38.921
flat angles C4'-P-C4' energy: -40.603
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -47.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -582.049775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.049775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.049775 (E_RNA)
where:
Base-Base interactions energy: -408.799
where: short stacking energy: -158.740
Base-Backbone interact. energy: -1.025
local terms energy: -172.225800
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -41.857
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -44.350
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: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -559.465399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.465399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.465399 (E_RNA)
where:
Base-Base interactions energy: -396.314
where: short stacking energy: -139.723
Base-Backbone interact. energy: -0.256
local terms energy: -162.895722
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -35.169
flat angles P-C4'-P energy: -26.980
tors. eta vs tors. theta energy: -40.932
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: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -495.242276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.242276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.242276 (E_RNA)
where:
Base-Base interactions energy: -324.783
where: short stacking energy: -144.297
Base-Backbone interact. energy: -0.345
local terms energy: -170.113841
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -37.604
flat angles C4'-P-C4' energy: -38.006
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -35.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -448.286468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.286468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.286468 (E_RNA)
where:
Base-Base interactions energy: -296.858
where: short stacking energy: -117.474
Base-Backbone interact. energy: 0.971
local terms energy: -152.399860
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -37.174
flat angles C4'-P-C4' energy: -34.198
flat angles P-C4'-P energy: -25.846
tors. eta vs tors. theta energy: -27.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -430.812212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.812212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.812212 (E_RNA)
where:
Base-Base interactions energy: -281.892
where: short stacking energy: -119.379
Base-Backbone interact. energy: -1.239
local terms energy: -147.681022
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -30.458
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: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -354.959299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.959299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.959299 (E_RNA)
where:
Base-Base interactions energy: -213.656
where: short stacking energy: -97.977
Base-Backbone interact. energy: -0.366
local terms energy: -140.937017
where:
bonds (distance) C4'-P energy: -35.279
bonds (distance) P-C4' energy: -29.037
flat angles C4'-P-C4' energy: -34.335
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -319.362761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.362761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.362761 (E_RNA)
where:
Base-Base interactions energy: -192.016
where: short stacking energy: -87.542
Base-Backbone interact. energy: -2.204
local terms energy: -125.328732
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -37.066
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.187 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -233.468243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.468243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.468243 (E_RNA)
where:
Base-Base interactions energy: -114.353
where: short stacking energy: -61.562
Base-Backbone interact. energy: -1.666
local terms energy: -117.449803
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -170.496008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.496008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.496008 (E_RNA)
where:
Base-Base interactions energy: -69.896
where: short stacking energy: -51.861
Base-Backbone interact. energy: -0.612
local terms energy: -99.987850
where:
bonds (distance) C4'-P energy: -29.787
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: 0.958
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: 382
Temperature: 0.900000
Total energy: -598.499461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.499461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.499461 (E_RNA)
where:
Base-Base interactions energy: -415.832
where: short stacking energy: -162.160
Base-Backbone interact. energy: -1.143
local terms energy: -181.524440
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -37.829
flat angles C4'-P-C4' energy: -40.583
flat angles P-C4'-P energy: -29.052
tors. eta vs tors. theta energy: -42.600
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: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -594.411162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.411162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.411162 (E_RNA)
where:
Base-Base interactions energy: -409.962
where: short stacking energy: -167.130
Base-Backbone interact. energy: -0.983
local terms energy: -183.466717
where:
bonds (distance) C4'-P energy: -34.494
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: -48.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -558.655829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.655829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.655829 (E_RNA)
where:
Base-Base interactions energy: -387.823
where: short stacking energy: -137.057
Base-Backbone interact. energy: -0.960
local terms energy: -169.873070
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -39.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -496.136274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.136274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.136274 (E_RNA)
where:
Base-Base interactions energy: -332.872
where: short stacking energy: -126.583
Base-Backbone interact. energy: 1.027
local terms energy: -164.291618
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -43.787
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -34.772
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: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -454.315885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.315885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.315885 (E_RNA)
where:
Base-Base interactions energy: -297.869
where: short stacking energy: -125.825
Base-Backbone interact. energy: -0.067
local terms energy: -156.380030
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -29.232
flat angles C4'-P-C4' energy: -32.771
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -35.365
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -425.966365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.966365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.966365 (E_RNA)
where:
Base-Base interactions energy: -286.823
where: short stacking energy: -116.816
Base-Backbone interact. energy: 0.913
local terms energy: -140.057119
where:
bonds (distance) C4'-P energy: -34.264
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -33.313
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -27.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -358.758521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.758521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.758521 (E_RNA)
where:
Base-Base interactions energy: -206.312
where: short stacking energy: -88.634
Base-Backbone interact. energy: 0.006
local terms energy: -152.452879
where:
bonds (distance) C4'-P energy: -30.555
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -39.242
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -15.730
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: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -311.637744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.637744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.637744 (E_RNA)
where:
Base-Base interactions energy: -188.530
where: short stacking energy: -83.109
Base-Backbone interact. energy: 0.714
local terms energy: -123.821795
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -34.575
flat angles C4'-P-C4' energy: -31.789
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -249.526449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.526449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.526449 (E_RNA)
where:
Base-Base interactions energy: -135.395
where: short stacking energy: -60.174
Base-Backbone interact. energy: -0.684
local terms energy: -113.447496
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -165.023566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.023566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.023566 (E_RNA)
where:
Base-Base interactions energy: -68.068
where: short stacking energy: -33.920
Base-Backbone interact. energy: -1.139
local terms energy: -95.816169
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -38.578
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: 8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -592.332179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.332179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.332179 (E_RNA)
where:
Base-Base interactions energy: -416.833
where: short stacking energy: -160.096
Base-Backbone interact. energy: -2.843
local terms energy: -172.656319
where:
bonds (distance) C4'-P energy: -29.157
bonds (distance) P-C4' energy: -38.390
flat angles C4'-P-C4' energy: -35.349
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -46.848
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: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -606.006597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.006597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.006597 (E_RNA)
where:
Base-Base interactions energy: -420.422
where: short stacking energy: -167.252
Base-Backbone interact. energy: -1.356
local terms energy: -184.228322
where:
bonds (distance) C4'-P energy: -32.116
bonds (distance) P-C4' energy: -42.507
flat angles C4'-P-C4' energy: -36.672
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -51.964
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: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -532.016625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.016625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.016625 (E_RNA)
where:
Base-Base interactions energy: -363.232
where: short stacking energy: -153.470
Base-Backbone interact. energy: -1.227
local terms energy: -167.557171
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -42.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -512.689217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.689217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.689217 (E_RNA)
where:
Base-Base interactions energy: -350.160
where: short stacking energy: -132.293
Base-Backbone interact. energy: -1.215
local terms energy: -161.314273
where:
bonds (distance) C4'-P energy: -31.792
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -38.572
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -38.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -477.618772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.618772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.618772 (E_RNA)
where:
Base-Base interactions energy: -320.795
where: short stacking energy: -134.947
Base-Backbone interact. energy: 0.754
local terms energy: -157.577702
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -38.481
flat angles P-C4'-P energy: -29.733
tors. eta vs tors. theta energy: -34.350
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: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -413.120260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.120260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.120260 (E_RNA)
where:
Base-Base interactions energy: -274.884
where: short stacking energy: -115.804
Base-Backbone interact. energy: -0.427
local terms energy: -137.809515
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -23.081
tors. eta vs tors. theta energy: -25.774
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: 383
Temperature: 1.200000
Total energy: -348.474967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.474967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.474967 (E_RNA)
where:
Base-Base interactions energy: -206.823
where: short stacking energy: -93.896
Base-Backbone interact. energy: -0.297
local terms energy: -141.355862
where:
bonds (distance) C4'-P energy: -31.046
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -343.949526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.949526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.949526 (E_RNA)
where:
Base-Base interactions energy: -210.347
where: short stacking energy: -97.295
Base-Backbone interact. energy: -1.414
local terms energy: -132.188592
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -35.041
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -21.613
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: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -255.934028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.934028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.934028 (E_RNA)
where:
Base-Base interactions energy: -144.079
where: short stacking energy: -68.741
Base-Backbone interact. energy: -0.676
local terms energy: -111.179115
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -31.599
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -144.142637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.142637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.142637 (E_RNA)
where:
Base-Base interactions energy: -45.001
where: short stacking energy: -41.773
Base-Backbone interact. energy: -1.658
local terms energy: -97.482819
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: 4.416
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: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -588.189093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.189093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.189093 (E_RNA)
where:
Base-Base interactions energy: -406.365
where: short stacking energy: -161.969
Base-Backbone interact. energy: -0.693
local terms energy: -181.131122
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -41.504
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -38.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -590.341432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.341432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.341432 (E_RNA)
where:
Base-Base interactions energy: -409.595
where: short stacking energy: -161.815
Base-Backbone interact. energy: -1.186
local terms energy: -179.571707
where:
bonds (distance) C4'-P energy: -39.204
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -38.543
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -45.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.012 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -547.359371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.359371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.359371 (E_RNA)
where:
Base-Base interactions energy: -381.798
where: short stacking energy: -149.798
Base-Backbone interact. energy: -1.523
local terms energy: -164.037765
where:
bonds (distance) C4'-P energy: -38.374
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -33.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -523.161705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.161705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.161705 (E_RNA)
where:
Base-Base interactions energy: -358.392
where: short stacking energy: -143.825
Base-Backbone interact. energy: 0.203
local terms energy: -164.972847
where:
bonds (distance) C4'-P energy: -38.453
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -36.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -467.704440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.704440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.704440 (E_RNA)
where:
Base-Base interactions energy: -303.027
where: short stacking energy: -137.795
Base-Backbone interact. energy: 0.455
local terms energy: -165.132890
where:
bonds (distance) C4'-P energy: -27.275
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -37.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -435.011795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.011795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.011795 (E_RNA)
where:
Base-Base interactions energy: -299.722
where: short stacking energy: -106.797
Base-Backbone interact. energy: 0.888
local terms energy: -136.177707
where:
bonds (distance) C4'-P energy: -34.993
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -19.889
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: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -319.351205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.351205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.351205 (E_RNA)
where:
Base-Base interactions energy: -185.513
where: short stacking energy: -87.024
Base-Backbone interact. energy: -0.430
local terms energy: -133.407246
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -35.321
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -315.974048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.974048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.974048 (E_RNA)
where:
Base-Base interactions energy: -195.105
where: short stacking energy: -81.533
Base-Backbone interact. energy: -1.111
local terms energy: -120.936927
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -34.492
flat angles C4'-P-C4' energy: -27.895
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.178 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -229.313091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.313091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.313091 (E_RNA)
where:
Base-Base interactions energy: -127.231
where: short stacking energy: -40.720
Base-Backbone interact. energy: -1.173
local terms energy: -100.909075
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -26.844
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -175.212386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.212386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.212386 (E_RNA)
where:
Base-Base interactions energy: -87.023
where: short stacking energy: -49.782
Base-Backbone interact. energy: 2.117
local terms energy: -90.306649
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: 6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -584.859410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.859410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.859410 (E_RNA)
where:
Base-Base interactions energy: -394.700
where: short stacking energy: -161.119
Base-Backbone interact. energy: -0.881
local terms energy: -189.278525
where:
bonds (distance) C4'-P energy: -39.330
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -41.782
flat angles P-C4'-P energy: -30.673
tors. eta vs tors. theta energy: -39.769
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: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -571.603532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.603532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.603532 (E_RNA)
where:
Base-Base interactions energy: -399.429
where: short stacking energy: -158.255
Base-Backbone interact. energy: -0.832
local terms energy: -171.517020
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: -43.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.175 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -559.481901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.481901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.481901 (E_RNA)
where:
Base-Base interactions energy: -397.443
where: short stacking energy: -159.176
Base-Backbone interact. energy: -0.538
local terms energy: -161.501099
where:
bonds (distance) C4'-P energy: -30.131
bonds (distance) P-C4' energy: -34.149
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -41.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -526.683797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.683797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.683797 (E_RNA)
where:
Base-Base interactions energy: -360.443
where: short stacking energy: -139.896
Base-Backbone interact. energy: -0.256
local terms energy: -165.984113
where:
bonds (distance) C4'-P energy: -37.007
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -39.533
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: -39.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -464.055403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.055403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.055403 (E_RNA)
where:
Base-Base interactions energy: -316.621
where: short stacking energy: -122.869
Base-Backbone interact. energy: -1.187
local terms energy: -146.247573
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -37.467
flat angles C4'-P-C4' energy: -40.308
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -32.572
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: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -388.367429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.367429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.367429 (E_RNA)
where:
Base-Base interactions energy: -252.538
where: short stacking energy: -113.009
Base-Backbone interact. energy: -0.296
local terms energy: -135.534131
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -34.314
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -21.052
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: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -330.012818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.012818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.012818 (E_RNA)
where:
Base-Base interactions energy: -181.475
where: short stacking energy: -83.893
Base-Backbone interact. energy: -2.346
local terms energy: -146.710012
where:
bonds (distance) C4'-P energy: -36.955
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -37.725
flat angles P-C4'-P energy: -16.294
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: 0.519 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -322.467438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.467438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.467438 (E_RNA)
where:
Base-Base interactions energy: -199.075
where: short stacking energy: -101.093
Base-Backbone interact. energy: -0.008
local terms energy: -123.383696
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -291.604628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.604628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.604628 (E_RNA)
where:
Base-Base interactions energy: -173.060
where: short stacking energy: -78.367
Base-Backbone interact. energy: -2.624
local terms energy: -115.920524
where:
bonds (distance) C4'-P energy: -30.928
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -172.373463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.373463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.373463 (E_RNA)
where:
Base-Base interactions energy: -77.080
where: short stacking energy: -47.511
Base-Backbone interact. energy: -0.289
local terms energy: -95.004398
where:
bonds (distance) C4'-P energy: -29.775
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -32.502
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: 4.907
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: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -590.864032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.864032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.864032 (E_RNA)
where:
Base-Base interactions energy: -406.856
where: short stacking energy: -179.608
Base-Backbone interact. energy: -1.299
local terms energy: -182.708371
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -41.022
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -47.331
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: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -576.319609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.319609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.319609 (E_RNA)
where:
Base-Base interactions energy: -401.508
where: short stacking energy: -157.489
Base-Backbone interact. energy: -1.215
local terms energy: -173.596172
where:
bonds (distance) C4'-P energy: -28.534
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -34.100
flat angles P-C4'-P energy: -29.131
tors. eta vs tors. theta energy: -42.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -561.668227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.668227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.668227 (E_RNA)
where:
Base-Base interactions energy: -375.527
where: short stacking energy: -154.119
Base-Backbone interact. energy: -0.797
local terms energy: -185.344743
where:
bonds (distance) C4'-P energy: -33.970
bonds (distance) P-C4' energy: -36.893
flat angles C4'-P-C4' energy: -41.413
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -48.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -528.465799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.465799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.465799 (E_RNA)
where:
Base-Base interactions energy: -357.173
where: short stacking energy: -146.687
Base-Backbone interact. energy: -1.410
local terms energy: -169.882797
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -40.957
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: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -469.555386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.555386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.555386 (E_RNA)
where:
Base-Base interactions energy: -313.000
where: short stacking energy: -125.342
Base-Backbone interact. energy: -0.865
local terms energy: -155.690890
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -38.864
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -34.244
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: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -403.522831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.522831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.522831 (E_RNA)
where:
Base-Base interactions energy: -254.547
where: short stacking energy: -103.833
Base-Backbone interact. energy: -1.644
local terms energy: -147.603129
where:
bonds (distance) C4'-P energy: -36.163
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -42.606
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.272 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -339.989482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.989482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.989482 (E_RNA)
where:
Base-Base interactions energy: -196.395
where: short stacking energy: -89.293
Base-Backbone interact. energy: -0.091
local terms energy: -143.503542
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -35.144
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -24.807
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: 386
Temperature: 1.250000
Total energy: -295.379010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.379010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.379010 (E_RNA)
where:
Base-Base interactions energy: -170.972
where: short stacking energy: -76.666
Base-Backbone interact. energy: -0.238
local terms energy: -124.169573
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -41.561
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -297.960683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.960683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.960683 (E_RNA)
where:
Base-Base interactions energy: -171.150
where: short stacking energy: -75.166
Base-Backbone interact. energy: -1.227
local terms energy: -125.583679
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -28.655
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -150.788109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.788109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.788109 (E_RNA)
where:
Base-Base interactions energy: -51.793
where: short stacking energy: -47.919
Base-Backbone interact. energy: -1.642
local terms energy: -97.352598
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -34.893
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -0.854
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: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -588.452101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.452101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.452101 (E_RNA)
where:
Base-Base interactions energy: -413.622
where: short stacking energy: -169.403
Base-Backbone interact. energy: -0.895
local terms energy: -174.405897
where:
bonds (distance) C4'-P energy: -34.865
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -34.464
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -49.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.471 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -582.578196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.578196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.578196 (E_RNA)
where:
Base-Base interactions energy: -403.181
where: short stacking energy: -158.927
Base-Backbone interact. energy: -0.170
local terms energy: -179.226684
where:
bonds (distance) C4'-P energy: -38.464
bonds (distance) P-C4' energy: -36.749
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: -44.883
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: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -564.710879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.710879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.710879 (E_RNA)
where:
Base-Base interactions energy: -390.375
where: short stacking energy: -151.207
Base-Backbone interact. energy: -0.083
local terms energy: -174.252489
where:
bonds (distance) C4'-P energy: -33.412
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -35.934
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -43.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -520.253235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.253235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.253235 (E_RNA)
where:
Base-Base interactions energy: -349.044
where: short stacking energy: -138.863
Base-Backbone interact. energy: -0.655
local terms energy: -170.554719
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -34.918
flat angles C4'-P-C4' energy: -38.495
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -36.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -467.179807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.179807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.179807 (E_RNA)
where:
Base-Base interactions energy: -320.088
where: short stacking energy: -127.535
Base-Backbone interact. energy: -1.436
local terms energy: -145.656241
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -34.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -404.186875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.186875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.186875 (E_RNA)
where:
Base-Base interactions energy: -270.170
where: short stacking energy: -105.939
Base-Backbone interact. energy: -0.957
local terms energy: -133.060138
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -39.921
flat angles C4'-P-C4' energy: -28.092
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -19.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -311.160870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.160870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.160870 (E_RNA)
where:
Base-Base interactions energy: -182.551
where: short stacking energy: -79.069
Base-Backbone interact. energy: -1.357
local terms energy: -127.252995
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -34.877
flat angles C4'-P-C4' energy: -34.725
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -312.181765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.181765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.181765 (E_RNA)
where:
Base-Base interactions energy: -173.768
where: short stacking energy: -94.919
Base-Backbone interact. energy: -0.216
local terms energy: -138.197408
where:
bonds (distance) C4'-P energy: -35.250
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -27.832
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -303.550301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.550301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.550301 (E_RNA)
where:
Base-Base interactions energy: -181.583
where: short stacking energy: -81.846
Base-Backbone interact. energy: -0.742
local terms energy: -121.225087
where:
bonds (distance) C4'-P energy: -30.306
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -154.139704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.139704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.139704 (E_RNA)
where:
Base-Base interactions energy: -43.907
where: short stacking energy: -38.842
Base-Backbone interact. energy: 0.487
local terms energy: -111.126934
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.408 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -591.303904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.303904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.303904 (E_RNA)
where:
Base-Base interactions energy: -404.429
where: short stacking energy: -167.590
Base-Backbone interact. energy: 1.403
local terms energy: -188.277788
where:
bonds (distance) C4'-P energy: -33.410
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -41.746
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -50.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -579.350457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.350457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.350457 (E_RNA)
where:
Base-Base interactions energy: -394.499
where: short stacking energy: -145.263
Base-Backbone interact. energy: -1.042
local terms energy: -183.809526
where:
bonds (distance) C4'-P energy: -35.214
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -37.642
flat angles P-C4'-P energy: -30.139
tors. eta vs tors. theta energy: -44.978
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: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -562.792789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.792789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.792789 (E_RNA)
where:
Base-Base interactions energy: -381.195
where: short stacking energy: -150.953
Base-Backbone interact. energy: -1.149
local terms energy: -180.448407
where:
bonds (distance) C4'-P energy: -34.914
bonds (distance) P-C4' energy: -38.261
flat angles C4'-P-C4' energy: -33.929
flat angles P-C4'-P energy: -28.315
tors. eta vs tors. theta energy: -45.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -529.932315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.932315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.932315 (E_RNA)
where:
Base-Base interactions energy: -368.048
where: short stacking energy: -138.613
Base-Backbone interact. energy: -0.526
local terms energy: -161.357951
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -35.317
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -40.279
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: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -473.363925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.363925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.363925 (E_RNA)
where:
Base-Base interactions energy: -317.204
where: short stacking energy: -130.509
Base-Backbone interact. energy: -1.536
local terms energy: -154.624137
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -31.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -422.244959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.244959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.244959 (E_RNA)
where:
Base-Base interactions energy: -271.814
where: short stacking energy: -97.435
Base-Backbone interact. energy: -0.291
local terms energy: -150.139593
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -38.341
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -19.635
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: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -309.213503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.213503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.213503 (E_RNA)
where:
Base-Base interactions energy: -180.355
where: short stacking energy: -87.475
Base-Backbone interact. energy: -0.746
local terms energy: -128.112960
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -37.736
flat angles C4'-P-C4' energy: -33.307
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -292.795776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.795776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.795776 (E_RNA)
where:
Base-Base interactions energy: -172.087
where: short stacking energy: -67.100
Base-Backbone interact. energy: -1.122
local terms energy: -119.586320
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -33.890
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -299.678666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.678666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.678666 (E_RNA)
where:
Base-Base interactions energy: -177.839
where: short stacking energy: -79.140
Base-Backbone interact. energy: -0.555
local terms energy: -121.284856
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -34.196
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -171.435263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.435263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.435263 (E_RNA)
where:
Base-Base interactions energy: -63.580
where: short stacking energy: -54.717
Base-Backbone interact. energy: 2.526
local terms energy: -110.380848
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: 0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -604.390187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.390187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.390187 (E_RNA)
where:
Base-Base interactions energy: -415.095
where: short stacking energy: -168.057
Base-Backbone interact. energy: -0.871
local terms energy: -189.024377
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -37.832
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -50.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.601 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -584.172875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.172875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.172875 (E_RNA)
where:
Base-Base interactions energy: -405.212
where: short stacking energy: -154.647
Base-Backbone interact. energy: -1.770
local terms energy: -177.442267
where:
bonds (distance) C4'-P energy: -30.980
bonds (distance) P-C4' energy: -37.754
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -26.429
tors. eta vs tors. theta energy: -47.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.251 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -563.763653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.763653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.763653 (E_RNA)
where:
Base-Base interactions energy: -383.176
where: short stacking energy: -153.631
Base-Backbone interact. energy: -0.721
local terms energy: -179.867417
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -39.847
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -40.755
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: 389
Temperature: 1.050000
Total energy: -499.397061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.397061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.397061 (E_RNA)
where:
Base-Base interactions energy: -340.168
where: short stacking energy: -148.415
Base-Backbone interact. energy: -0.268
local terms energy: -158.960857
where:
bonds (distance) C4'-P energy: -32.687
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -27.707
tors. eta vs tors. theta energy: -35.039
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: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -540.865021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.865021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.865021 (E_RNA)
where:
Base-Base interactions energy: -373.361
where: short stacking energy: -137.582
Base-Backbone interact. energy: -1.479
local terms energy: -166.025139
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -31.910
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -41.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -422.636315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.636315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.636315 (E_RNA)
where:
Base-Base interactions energy: -264.453
where: short stacking energy: -115.739
Base-Backbone interact. energy: -1.298
local terms energy: -156.886184
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -37.973
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -30.960
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: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -312.532776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.532776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.532776 (E_RNA)
where:
Base-Base interactions energy: -193.836
where: short stacking energy: -90.640
Base-Backbone interact. energy: -0.275
local terms energy: -118.421536
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -18.715
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: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -335.899443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.899443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.899443 (E_RNA)
where:
Base-Base interactions energy: -200.321
where: short stacking energy: -92.616
Base-Backbone interact. energy: -0.443
local terms energy: -135.135203
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -31.379
flat angles C4'-P-C4' energy: -37.538
flat angles P-C4'-P energy: -17.208
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -287.313792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.313792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.313792 (E_RNA)
where:
Base-Base interactions energy: -164.290
where: short stacking energy: -79.868
Base-Backbone interact. energy: -0.469
local terms energy: -122.554568
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -155.857080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.857080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.857080 (E_RNA)
where:
Base-Base interactions energy: -61.243
where: short stacking energy: -56.924
Base-Backbone interact. energy: -0.181
local terms energy: -94.432807
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -39.202
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -17.406
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: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -599.971652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.971652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.971652 (E_RNA)
where:
Base-Base interactions energy: -422.052
where: short stacking energy: -151.304
Base-Backbone interact. energy: -1.337
local terms energy: -176.583180
where:
bonds (distance) C4'-P energy: -35.578
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -31.064
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -46.048
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: 390
Temperature: 0.950000
Total energy: -571.320227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.320227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.320227 (E_RNA)
where:
Base-Base interactions energy: -387.543
where: short stacking energy: -148.922
Base-Backbone interact. energy: -0.336
local terms energy: -183.441245
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -40.240
flat angles C4'-P-C4' energy: -37.241
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -40.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -556.300022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.300022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.300022 (E_RNA)
where:
Base-Base interactions energy: -393.595
where: short stacking energy: -155.467
Base-Backbone interact. energy: -0.939
local terms energy: -161.766170
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -37.185
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -44.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -492.361651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.361651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.361651 (E_RNA)
where:
Base-Base interactions energy: -338.121
where: short stacking energy: -128.679
Base-Backbone interact. energy: 0.564
local terms energy: -154.805136
where:
bonds (distance) C4'-P energy: -33.425
bonds (distance) P-C4' energy: -35.633
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -32.566
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: 390
Temperature: 1.100000
Total energy: -512.537045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.537045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.537045 (E_RNA)
where:
Base-Base interactions energy: -352.953
where: short stacking energy: -144.787
Base-Backbone interact. energy: -2.694
local terms energy: -156.890227
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -43.459
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: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -396.856640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.856640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.856640 (E_RNA)
where:
Base-Base interactions energy: -251.984
where: short stacking energy: -106.334
Base-Backbone interact. energy: 0.108
local terms energy: -144.980944
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -33.142
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -16.721
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: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -340.721030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.721030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.721030 (E_RNA)
where:
Base-Base interactions energy: -203.565
where: short stacking energy: -102.887
Base-Backbone interact. energy: -0.751
local terms energy: -136.585072
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -33.378
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.181 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -333.894242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.894242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.894242 (E_RNA)
where:
Base-Base interactions energy: -203.932
where: short stacking energy: -107.193
Base-Backbone interact. energy: -0.712
local terms energy: -129.251130
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -24.894
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: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -298.322333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.322333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.322333 (E_RNA)
where:
Base-Base interactions energy: -161.758
where: short stacking energy: -67.027
Base-Backbone interact. energy: -2.213
local terms energy: -134.351103
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -38.467
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -162.185098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.185098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.185098 (E_RNA)
where:
Base-Base interactions energy: -67.795
where: short stacking energy: -38.227
Base-Backbone interact. energy: -0.165
local terms energy: -94.225657
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: 6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -582.341589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.341589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.341589 (E_RNA)
where:
Base-Base interactions energy: -401.528
where: short stacking energy: -154.450
Base-Backbone interact. energy: 0.267
local terms energy: -181.080105
where:
bonds (distance) C4'-P energy: -35.104
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -39.553
flat angles P-C4'-P energy: -25.191
tors. eta vs tors. theta energy: -42.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -576.115417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.115417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.115417 (E_RNA)
where:
Base-Base interactions energy: -404.122
where: short stacking energy: -161.000
Base-Backbone interact. energy: -0.996
local terms energy: -170.996705
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -33.508
flat angles C4'-P-C4' energy: -38.635
flat angles P-C4'-P energy: -21.865
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: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -572.890944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.890944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.890944 (E_RNA)
where:
Base-Base interactions energy: -387.076
where: short stacking energy: -147.453
Base-Backbone interact. energy: -0.763
local terms energy: -185.051921
where:
bonds (distance) C4'-P energy: -35.113
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -29.036
tors. eta vs tors. theta energy: -49.127
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: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -522.483137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.483137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.483137 (E_RNA)
where:
Base-Base interactions energy: -356.332
where: short stacking energy: -136.277
Base-Backbone interact. energy: -0.443
local terms energy: -165.708807
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -32.158
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -39.422
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: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -485.529807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.529807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.529807 (E_RNA)
where:
Base-Base interactions energy: -319.686
where: short stacking energy: -140.751
Base-Backbone interact. energy: -0.624
local terms energy: -165.219558
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -41.802
flat angles C4'-P-C4' energy: -40.500
flat angles P-C4'-P energy: -23.487
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: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -398.656675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.656675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.656675 (E_RNA)
where:
Base-Base interactions energy: -263.070
where: short stacking energy: -113.016
Base-Backbone interact. energy: -0.979
local terms energy: -134.607386
where:
bonds (distance) C4'-P energy: -33.473
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -25.163
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -23.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -317.082175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.082175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.082175 (E_RNA)
where:
Base-Base interactions energy: -180.155
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.651
local terms energy: -136.283760
where:
bonds (distance) C4'-P energy: -39.447
bonds (distance) P-C4' energy: -38.271
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -311.185745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.185745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.185745 (E_RNA)
where:
Base-Base interactions energy: -183.974
where: short stacking energy: -81.619
Base-Backbone interact. energy: -0.676
local terms energy: -126.535051
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -34.418
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -304.957899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.957899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.957899 (E_RNA)
where:
Base-Base interactions energy: -176.681
where: short stacking energy: -80.370
Base-Backbone interact. energy: 0.131
local terms energy: -128.408143
where:
bonds (distance) C4'-P energy: -30.306
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -165.478597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.478597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.478597 (E_RNA)
where:
Base-Base interactions energy: -71.417
where: short stacking energy: -53.592
Base-Backbone interact. energy: 0.667
local terms energy: -94.728578
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: 3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -594.050890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.050890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.050890 (E_RNA)
where:
Base-Base interactions energy: -407.023
where: short stacking energy: -153.882
Base-Backbone interact. energy: 0.184
local terms energy: -187.212060
where:
bonds (distance) C4'-P energy: -40.373
bonds (distance) P-C4' energy: -29.232
flat angles C4'-P-C4' energy: -37.517
flat angles P-C4'-P energy: -28.807
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -559.929822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.929822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.929822 (E_RNA)
where:
Base-Base interactions energy: -384.378
where: short stacking energy: -149.392
Base-Backbone interact. energy: -0.825
local terms energy: -174.726011
where:
bonds (distance) C4'-P energy: -34.060
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -34.251
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -41.083
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: 392
Temperature: 1.000000
Total energy: -574.770837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.770837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.770837 (E_RNA)
where:
Base-Base interactions energy: -408.971
where: short stacking energy: -157.360
Base-Backbone interact. energy: -0.621
local terms energy: -165.220684
where:
bonds (distance) C4'-P energy: -31.269
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -41.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.043 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -524.047949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.047949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.047949 (E_RNA)
where:
Base-Base interactions energy: -354.837
where: short stacking energy: -148.299
Base-Backbone interact. energy: 0.389
local terms energy: -169.600256
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -40.214
flat angles C4'-P-C4' energy: -35.943
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -496.046148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.046148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.046148 (E_RNA)
where:
Base-Base interactions energy: -335.779
where: short stacking energy: -127.325
Base-Backbone interact. energy: -1.519
local terms energy: -158.748972
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -34.504
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: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -412.261468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.261468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.261468 (E_RNA)
where:
Base-Base interactions energy: -255.211
where: short stacking energy: -109.857
Base-Backbone interact. energy: -0.138
local terms energy: -156.912539
where:
bonds (distance) C4'-P energy: -35.452
bonds (distance) P-C4' energy: -36.077
flat angles C4'-P-C4' energy: -29.011
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -32.670
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: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -327.318160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.318160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.318160 (E_RNA)
where:
Base-Base interactions energy: -195.240
where: short stacking energy: -99.934
Base-Backbone interact. energy: -0.532
local terms energy: -131.552444
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -17.707
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.006 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -293.897041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.897041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.897041 (E_RNA)
where:
Base-Base interactions energy: -175.715
where: short stacking energy: -66.254
Base-Backbone interact. energy: -4.047
local terms energy: -114.437838
where:
bonds (distance) C4'-P energy: -27.610
bonds (distance) P-C4' energy: -32.693
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -14.705
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: 0.303 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -277.735927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.735927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.735927 (E_RNA)
where:
Base-Base interactions energy: -153.864
where: short stacking energy: -72.855
Base-Backbone interact. energy: 0.929
local terms energy: -124.903285
where:
bonds (distance) C4'-P energy: -40.466
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -165.334475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.334475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.334475 (E_RNA)
where:
Base-Base interactions energy: -48.362
where: short stacking energy: -42.751
Base-Backbone interact. energy: -0.312
local terms energy: -117.099794
where:
bonds (distance) C4'-P energy: -33.859
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.439 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -588.036678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.036678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.036678 (E_RNA)
where:
Base-Base interactions energy: -415.117
where: short stacking energy: -159.287
Base-Backbone interact. energy: 0.108
local terms energy: -173.028172
where:
bonds (distance) C4'-P energy: -34.555
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -49.262
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: 393
Temperature: 0.950000
Total energy: -577.997386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.997386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.997386 (E_RNA)
where:
Base-Base interactions energy: -403.303
where: short stacking energy: -165.297
Base-Backbone interact. energy: -1.603
local terms energy: -173.091637
where:
bonds (distance) C4'-P energy: -29.945
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -49.080
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: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -567.821353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.821353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.821353 (E_RNA)
where:
Base-Base interactions energy: -405.835
where: short stacking energy: -154.082
Base-Backbone interact. energy: -0.235
local terms energy: -161.751398
where:
bonds (distance) C4'-P energy: -33.557
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -37.627
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -36.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -535.037855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.037855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.037855 (E_RNA)
where:
Base-Base interactions energy: -361.517
where: short stacking energy: -137.696
Base-Backbone interact. energy: -2.721
local terms energy: -170.799736
where:
bonds (distance) C4'-P energy: -33.557
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -28.392
tors. eta vs tors. theta energy: -40.924
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: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -486.223763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.223763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.223763 (E_RNA)
where:
Base-Base interactions energy: -318.645
where: short stacking energy: -136.417
Base-Backbone interact. energy: 0.111
local terms energy: -167.690166
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -40.627
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -33.020
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: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -406.699739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.699739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.699739 (E_RNA)
where:
Base-Base interactions energy: -250.896
where: short stacking energy: -103.645
Base-Backbone interact. energy: -0.720
local terms energy: -155.084184
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -327.068830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.068830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.068830 (E_RNA)
where:
Base-Base interactions energy: -211.453
where: short stacking energy: -107.361
Base-Backbone interact. energy: -0.309
local terms energy: -117.758439
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -34.239
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.451 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -299.962193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.962193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.962193 (E_RNA)
where:
Base-Base interactions energy: -173.846
where: short stacking energy: -89.727
Base-Backbone interact. energy: -0.382
local terms energy: -125.733369
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -285.572944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.572944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.572944 (E_RNA)
where:
Base-Base interactions energy: -174.990
where: short stacking energy: -82.562
Base-Backbone interact. energy: 0.268
local terms energy: -110.850407
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -30.032
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -157.504728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.504728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.504728 (E_RNA)
where:
Base-Base interactions energy: -59.176
where: short stacking energy: -55.241
Base-Backbone interact. energy: 0.440
local terms energy: -98.768619
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: 4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -576.840509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.840509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.840509 (E_RNA)
where:
Base-Base interactions energy: -403.971
where: short stacking energy: -157.621
Base-Backbone interact. energy: -1.004
local terms energy: -171.865053
where:
bonds (distance) C4'-P energy: -36.880
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -44.832
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: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -570.331570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.331570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.331570 (E_RNA)
where:
Base-Base interactions energy: -399.233
where: short stacking energy: -156.533
Base-Backbone interact. energy: 0.277
local terms energy: -171.375232
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -40.687
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -49.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -551.239046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.239046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.239046 (E_RNA)
where:
Base-Base interactions energy: -380.963
where: short stacking energy: -141.284
Base-Backbone interact. energy: -0.951
local terms energy: -169.325309
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -37.530
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -38.055
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: 394
Temperature: 1.050000
Total energy: -525.272457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.272457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.272457 (E_RNA)
where:
Base-Base interactions energy: -371.645
where: short stacking energy: -147.432
Base-Backbone interact. energy: -0.660
local terms energy: -152.967565
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -39.010
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: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -485.806549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.806549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.806549 (E_RNA)
where:
Base-Base interactions energy: -316.172
where: short stacking energy: -127.924
Base-Backbone interact. energy: -0.727
local terms energy: -168.907986
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -37.916
flat angles C4'-P-C4' energy: -35.078
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -39.008
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: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -411.443759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.443759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.443759 (E_RNA)
where:
Base-Base interactions energy: -254.064
where: short stacking energy: -106.020
Base-Backbone interact. energy: -0.187
local terms energy: -157.192912
where:
bonds (distance) C4'-P energy: -35.923
bonds (distance) P-C4' energy: -37.931
flat angles C4'-P-C4' energy: -38.122
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -24.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -323.921469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.921469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.921469 (E_RNA)
where:
Base-Base interactions energy: -209.023
where: short stacking energy: -99.582
Base-Backbone interact. energy: -0.666
local terms energy: -114.232472
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -33.273
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -328.606104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.606104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.606104 (E_RNA)
where:
Base-Base interactions energy: -191.918
where: short stacking energy: -84.681
Base-Backbone interact. energy: -0.522
local terms energy: -136.166526
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -16.065
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: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -294.228585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.228585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.228585 (E_RNA)
where:
Base-Base interactions energy: -180.205
where: short stacking energy: -78.554
Base-Backbone interact. energy: -1.641
local terms energy: -112.382317
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -34.473
flat angles C4'-P-C4' energy: -30.897
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -159.721547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.721547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.721547 (E_RNA)
where:
Base-Base interactions energy: -63.516
where: short stacking energy: -49.741
Base-Backbone interact. energy: -0.245
local terms energy: -95.960837
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -31.038
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: 2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -600.671004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.671004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.671004 (E_RNA)
where:
Base-Base interactions energy: -421.704
where: short stacking energy: -156.609
Base-Backbone interact. energy: -0.548
local terms energy: -178.419284
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -36.167
flat angles C4'-P-C4' energy: -38.546
flat angles P-C4'-P energy: -24.939
tors. eta vs tors. theta energy: -43.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -574.436642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.436642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.436642 (E_RNA)
where:
Base-Base interactions energy: -393.753
where: short stacking energy: -162.830
Base-Backbone interact. energy: -2.930
local terms energy: -177.811159
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -35.277
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -28.903
tors. eta vs tors. theta energy: -44.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -569.801780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.801780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.801780 (E_RNA)
where:
Base-Base interactions energy: -382.296
where: short stacking energy: -153.783
Base-Backbone interact. energy: -0.758
local terms energy: -186.747164
where:
bonds (distance) C4'-P energy: -40.469
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -39.169
flat angles P-C4'-P energy: -28.647
tors. eta vs tors. theta energy: -47.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -534.006112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.006112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.006112 (E_RNA)
where:
Base-Base interactions energy: -374.775
where: short stacking energy: -145.504
Base-Backbone interact. energy: -0.507
local terms energy: -158.724532
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -34.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -475.968440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.968440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.968440 (E_RNA)
where:
Base-Base interactions energy: -318.862
where: short stacking energy: -147.456
Base-Backbone interact. energy: -0.539
local terms energy: -156.567296
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -40.231
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -37.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -428.689812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.689812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.689812 (E_RNA)
where:
Base-Base interactions energy: -295.839
where: short stacking energy: -116.433
Base-Backbone interact. energy: -1.098
local terms energy: -131.753567
where:
bonds (distance) C4'-P energy: -31.545
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -21.377
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: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -315.430948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.430948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.430948 (E_RNA)
where:
Base-Base interactions energy: -176.976
where: short stacking energy: -83.069
Base-Backbone interact. energy: -0.787
local terms energy: -137.667724
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -18.607
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: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -311.768116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.768116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.768116 (E_RNA)
where:
Base-Base interactions energy: -190.917
where: short stacking energy: -67.837
Base-Backbone interact. energy: 1.270
local terms energy: -122.120571
where:
bonds (distance) C4'-P energy: -30.151
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -304.786553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.786553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.786553 (E_RNA)
where:
Base-Base interactions energy: -183.221
where: short stacking energy: -85.004
Base-Backbone interact. energy: -2.634
local terms energy: -118.931341
where:
bonds (distance) C4'-P energy: -29.245
bonds (distance) P-C4' energy: -32.268
flat angles C4'-P-C4' energy: -27.154
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -12.090
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -208.214159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.214159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.214159 (E_RNA)
where:
Base-Base interactions energy: -108.988
where: short stacking energy: -52.526
Base-Backbone interact. energy: -1.823
local terms energy: -97.403418
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: 0.921
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: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -597.016077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.016077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.016077 (E_RNA)
where:
Base-Base interactions energy: -422.355
where: short stacking energy: -155.661
Base-Backbone interact. energy: -2.049
local terms energy: -172.612793
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -37.146
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -47.789
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: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -546.908012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.908012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.908012 (E_RNA)
where:
Base-Base interactions energy: -371.031
where: short stacking energy: -136.089
Base-Backbone interact. energy: -0.793
local terms energy: -176.640846
where:
bonds (distance) C4'-P energy: -32.514
bonds (distance) P-C4' energy: -42.681
flat angles C4'-P-C4' energy: -41.156
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -39.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.557 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -561.411895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.411895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.411895 (E_RNA)
where:
Base-Base interactions energy: -384.078
where: short stacking energy: -151.664
Base-Backbone interact. energy: -2.078
local terms energy: -175.255900
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -33.936
flat angles C4'-P-C4' energy: -33.140
flat angles P-C4'-P energy: -24.255
tors. eta vs tors. theta energy: -44.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -529.624527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.624527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.624527 (E_RNA)
where:
Base-Base interactions energy: -358.829
where: short stacking energy: -146.632
Base-Backbone interact. energy: -0.686
local terms energy: -170.109172
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -36.278
flat angles P-C4'-P energy: -24.959
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: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -468.310446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.310446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.310446 (E_RNA)
where:
Base-Base interactions energy: -303.110
where: short stacking energy: -127.743
Base-Backbone interact. energy: 2.961
local terms energy: -168.161806
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -33.402
flat angles P-C4'-P energy: -29.425
tors. eta vs tors. theta energy: -38.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -404.879289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.879289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.879289 (E_RNA)
where:
Base-Base interactions energy: -271.574
where: short stacking energy: -106.767
Base-Backbone interact. energy: 0.541
local terms energy: -133.846174
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -341.934327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.934327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.934327 (E_RNA)
where:
Base-Base interactions energy: -212.589
where: short stacking energy: -98.857
Base-Backbone interact. energy: -0.072
local terms energy: -129.272690
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -321.685383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.685383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.685383 (E_RNA)
where:
Base-Base interactions energy: -199.870
where: short stacking energy: -79.050
Base-Backbone interact. energy: -1.804
local terms energy: -120.011500
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -24.559
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: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -306.839167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.839167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.839167 (E_RNA)
where:
Base-Base interactions energy: -185.122
where: short stacking energy: -93.834
Base-Backbone interact. energy: -0.453
local terms energy: -121.264906
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -201.087457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.087457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.087457 (E_RNA)
where:
Base-Base interactions energy: -116.754
where: short stacking energy: -47.911
Base-Backbone interact. energy: -1.740
local terms energy: -82.594038
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: 7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -594.465011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.465011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.465011 (E_RNA)
where:
Base-Base interactions energy: -404.165
where: short stacking energy: -163.030
Base-Backbone interact. energy: -1.170
local terms energy: -189.129923
where:
bonds (distance) C4'-P energy: -35.592
bonds (distance) P-C4' energy: -37.320
flat angles C4'-P-C4' energy: -41.841
flat angles P-C4'-P energy: -27.470
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: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -576.798890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.798890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.798890 (E_RNA)
where:
Base-Base interactions energy: -402.013
where: short stacking energy: -155.391
Base-Backbone interact. energy: 1.055
local terms energy: -175.990967
where:
bonds (distance) C4'-P energy: -33.756
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -49.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.151 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -551.468429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.468429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.468429 (E_RNA)
where:
Base-Base interactions energy: -375.281
where: short stacking energy: -145.342
Base-Backbone interact. energy: -0.381
local terms energy: -175.806832
where:
bonds (distance) C4'-P energy: -33.024
bonds (distance) P-C4' energy: -41.371
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -28.250
tors. eta vs tors. theta energy: -39.391
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: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -459.333524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.333524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.333524 (E_RNA)
where:
Base-Base interactions energy: -300.996
where: short stacking energy: -128.631
Base-Backbone interact. energy: -1.668
local terms energy: -156.669431
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -37.212
flat angles C4'-P-C4' energy: -35.222
flat angles P-C4'-P energy: -27.343
tors. eta vs tors. theta energy: -28.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -524.607176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.607176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.607176 (E_RNA)
where:
Base-Base interactions energy: -364.593
where: short stacking energy: -133.699
Base-Backbone interact. energy: -1.350
local terms energy: -158.663670
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -41.482
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -36.753
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: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -446.588499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.588499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.588499 (E_RNA)
where:
Base-Base interactions energy: -281.200
where: short stacking energy: -120.119
Base-Backbone interact. energy: 0.124
local terms energy: -165.513075
where:
bonds (distance) C4'-P energy: -37.377
bonds (distance) P-C4' energy: -41.054
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -34.627
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: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -310.890753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.890753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.890753 (E_RNA)
where:
Base-Base interactions energy: -187.179
where: short stacking energy: -77.063
Base-Backbone interact. energy: -0.202
local terms energy: -123.509713
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -10.924
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: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -283.757765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.757765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.757765 (E_RNA)
where:
Base-Base interactions energy: -158.099
where: short stacking energy: -75.064
Base-Backbone interact. energy: 0.768
local terms energy: -126.427480
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -18.285
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: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -282.409201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.409201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.409201 (E_RNA)
where:
Base-Base interactions energy: -155.299
where: short stacking energy: -63.411
Base-Backbone interact. energy: -2.122
local terms energy: -124.987996
where:
bonds (distance) C4'-P energy: -30.889
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -37.025
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -154.886867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.886867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.886867 (E_RNA)
where:
Base-Base interactions energy: -64.729
where: short stacking energy: -48.720
Base-Backbone interact. energy: 0.252
local terms energy: -90.467258
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -590.461075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.461075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.461075 (E_RNA)
where:
Base-Base interactions energy: -425.191
where: short stacking energy: -159.880
Base-Backbone interact. energy: -1.961
local terms energy: -163.308917
where:
bonds (distance) C4'-P energy: -29.823
bonds (distance) P-C4' energy: -30.004
flat angles C4'-P-C4' energy: -37.182
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -39.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -594.212840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.212840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.212840 (E_RNA)
where:
Base-Base interactions energy: -417.995
where: short stacking energy: -160.857
Base-Backbone interact. energy: -1.288
local terms energy: -175.831275
where:
bonds (distance) C4'-P energy: -30.150
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -38.603
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -47.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.901 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -572.106319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.106319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.106319 (E_RNA)
where:
Base-Base interactions energy: -408.058
where: short stacking energy: -153.581
Base-Backbone interact. energy: -0.805
local terms energy: -163.763297
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -38.805
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -39.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.521 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -489.786597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.786597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.786597 (E_RNA)
where:
Base-Base interactions energy: -324.257
where: short stacking energy: -135.941
Base-Backbone interact. energy: -1.691
local terms energy: -163.838923
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -39.065
flat angles C4'-P-C4' energy: -37.353
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -33.003
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: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -506.471170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.471170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.471170 (E_RNA)
where:
Base-Base interactions energy: -362.667
where: short stacking energy: -134.725
Base-Backbone interact. energy: -0.004
local terms energy: -143.800204
where:
bonds (distance) C4'-P energy: -36.037
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -33.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -419.902012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.902012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.902012 (E_RNA)
where:
Base-Base interactions energy: -285.510
where: short stacking energy: -111.440
Base-Backbone interact. energy: -1.235
local terms energy: -133.156985
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -31.505
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -20.544
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: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -317.337163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.337163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.337163 (E_RNA)
where:
Base-Base interactions energy: -174.140
where: short stacking energy: -81.294
Base-Backbone interact. energy: -1.665
local terms energy: -144.026490
where:
bonds (distance) C4'-P energy: -37.180
bonds (distance) P-C4' energy: -38.921
flat angles C4'-P-C4' energy: -29.320
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.494 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -312.477520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.477520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.477520 (E_RNA)
where:
Base-Base interactions energy: -192.335
where: short stacking energy: -86.063
Base-Backbone interact. energy: 2.771
local terms energy: -122.913331
where:
bonds (distance) C4'-P energy: -31.697
bonds (distance) P-C4' energy: -35.317
flat angles C4'-P-C4' energy: -28.707
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -309.611149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.611149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.611149 (E_RNA)
where:
Base-Base interactions energy: -195.552
where: short stacking energy: -87.104
Base-Backbone interact. energy: -1.265
local terms energy: -112.794574
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -152.708571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.708571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.708571 (E_RNA)
where:
Base-Base interactions energy: -45.528
where: short stacking energy: -45.528
Base-Backbone interact. energy: -0.405
local terms energy: -107.794509
where:
bonds (distance) C4'-P energy: -31.486
bonds (distance) P-C4' energy: -32.881
flat angles C4'-P-C4' energy: -35.845
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: 0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.018 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -606.016040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.016040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.016040 (E_RNA)
where:
Base-Base interactions energy: -415.533
where: short stacking energy: -167.596
Base-Backbone interact. energy: -0.744
local terms energy: -189.739721
where:
bonds (distance) C4'-P energy: -41.769
bonds (distance) P-C4' energy: -32.662
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -47.947
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: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -590.867422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.867422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.867422 (E_RNA)
where:
Base-Base interactions energy: -409.605
where: short stacking energy: -164.411
Base-Backbone interact. energy: -0.837
local terms energy: -180.425142
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -40.298
flat angles P-C4'-P energy: -27.317
tors. eta vs tors. theta energy: -49.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -546.410925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.410925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.410925 (E_RNA)
where:
Base-Base interactions energy: -401.903
where: short stacking energy: -151.029
Base-Backbone interact. energy: -1.109
local terms energy: -144.624340
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -32.752
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -34.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.226 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -517.252533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.252533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.252533 (E_RNA)
where:
Base-Base interactions energy: -366.165
where: short stacking energy: -142.490
Base-Backbone interact. energy: -2.841
local terms energy: -148.246445
where:
bonds (distance) C4'-P energy: -35.170
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -27.311
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: -35.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -481.649377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.649377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.649377 (E_RNA)
where:
Base-Base interactions energy: -335.316
where: short stacking energy: -141.227
Base-Backbone interact. energy: -0.570
local terms energy: -148.006050
where:
bonds (distance) C4'-P energy: -34.180
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -29.397
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -35.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.242 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -423.320528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.320528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.320528 (E_RNA)
where:
Base-Base interactions energy: -270.025
where: short stacking energy: -120.132
Base-Backbone interact. energy: -0.094
local terms energy: -153.201427
where:
bonds (distance) C4'-P energy: -28.319
bonds (distance) P-C4' energy: -35.908
flat angles C4'-P-C4' energy: -32.785
flat angles P-C4'-P energy: -22.611
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -300.018005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.018005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.018005 (E_RNA)
where:
Base-Base interactions energy: -177.211
where: short stacking energy: -86.853
Base-Backbone interact. energy: -0.515
local terms energy: -122.291775
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -290.762251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.762251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.762251 (E_RNA)
where:
Base-Base interactions energy: -167.564
where: short stacking energy: -86.674
Base-Backbone interact. energy: -0.997
local terms energy: -124.433680
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -31.338
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.232 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -296.232024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.232024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.232024 (E_RNA)
where:
Base-Base interactions energy: -162.553
where: short stacking energy: -78.573
Base-Backbone interact. energy: -0.800
local terms energy: -132.878842
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -37.215
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -8.612
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: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -180.004431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.004431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.004431 (E_RNA)
where:
Base-Base interactions energy: -66.897
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.512
local terms energy: -112.595597
where:
bonds (distance) C4'-P energy: -29.207
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -4.250
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: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -588.228057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.228057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.228057 (E_RNA)
where:
Base-Base interactions energy: -413.723
where: short stacking energy: -158.089
Base-Backbone interact. energy: -0.958
local terms energy: -173.546521
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -37.469
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -589.820166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.820166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.820166 (E_RNA)
where:
Base-Base interactions energy: -407.186
where: short stacking energy: -163.231
Base-Backbone interact. energy: -0.115
local terms energy: -182.519256
where:
bonds (distance) C4'-P energy: -37.241
bonds (distance) P-C4' energy: -38.916
flat angles C4'-P-C4' energy: -35.561
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -44.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -537.283181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.283181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.283181 (E_RNA)
where:
Base-Base interactions energy: -371.166
where: short stacking energy: -146.073
Base-Backbone interact. energy: -1.049
local terms energy: -165.067467
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -32.095
flat angles C4'-P-C4' energy: -39.010
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -37.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -528.455133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.455133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.455133 (E_RNA)
where:
Base-Base interactions energy: -349.897
where: short stacking energy: -139.059
Base-Backbone interact. energy: -1.015
local terms energy: -177.542561
where:
bonds (distance) C4'-P energy: -36.408
bonds (distance) P-C4' energy: -35.578
flat angles C4'-P-C4' energy: -38.289
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -44.920
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: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -474.198536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.198536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.198536 (E_RNA)
where:
Base-Base interactions energy: -316.218
where: short stacking energy: -129.256
Base-Backbone interact. energy: -1.412
local terms energy: -156.568615
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -32.277
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -32.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -403.367507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.367507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.367507 (E_RNA)
where:
Base-Base interactions energy: -262.908
where: short stacking energy: -110.374
Base-Backbone interact. energy: -0.776
local terms energy: -139.683377
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -36.463
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -330.335611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.335611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.335611 (E_RNA)
where:
Base-Base interactions energy: -207.986
where: short stacking energy: -100.552
Base-Backbone interact. energy: -1.475
local terms energy: -120.908094
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -296.841399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.841399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.841399 (E_RNA)
where:
Base-Base interactions energy: -173.926
where: short stacking energy: -72.857
Base-Backbone interact. energy: -0.468
local terms energy: -122.447812
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -13.627
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: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -299.619167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.619167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.619167 (E_RNA)
where:
Base-Base interactions energy: -180.495
where: short stacking energy: -88.240
Base-Backbone interact. energy: -0.333
local terms energy: -118.790607
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -34.408
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: -13.974
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -174.485579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.485579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.485579 (E_RNA)
where:
Base-Base interactions energy: -70.789
where: short stacking energy: -60.207
Base-Backbone interact. energy: -2.869
local terms energy: -100.827875
where:
bonds (distance) C4'-P energy: -28.388
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -6.017
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: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -600.060203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.060203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.060203 (E_RNA)
where:
Base-Base interactions energy: -418.930
where: short stacking energy: -164.374
Base-Backbone interact. energy: -2.317
local terms energy: -179.332767
where:
bonds (distance) C4'-P energy: -37.123
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -38.262
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -44.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -561.488280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.488280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.488280 (E_RNA)
where:
Base-Base interactions energy: -390.824
where: short stacking energy: -153.627
Base-Backbone interact. energy: -0.020
local terms energy: -170.644362
where:
bonds (distance) C4'-P energy: -37.197
bonds (distance) P-C4' energy: -35.881
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -35.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -581.347212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.347212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.347212 (E_RNA)
where:
Base-Base interactions energy: -402.281
where: short stacking energy: -157.087
Base-Backbone interact. energy: -1.960
local terms energy: -177.106300
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -36.578
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -50.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -534.242132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.242132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.242132 (E_RNA)
where:
Base-Base interactions energy: -366.110
where: short stacking energy: -141.238
Base-Backbone interact. energy: 0.980
local terms energy: -169.111818
where:
bonds (distance) C4'-P energy: -33.304
bonds (distance) P-C4' energy: -29.938
flat angles C4'-P-C4' energy: -37.346
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -43.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -476.501718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.501718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.501718 (E_RNA)
where:
Base-Base interactions energy: -317.866
where: short stacking energy: -119.731
Base-Backbone interact. energy: 0.440
local terms energy: -159.076019
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -32.373
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -32.643
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: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -397.651900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.651900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.651900 (E_RNA)
where:
Base-Base interactions energy: -265.369
where: short stacking energy: -110.372
Base-Backbone interact. energy: -0.665
local terms energy: -131.618094
where:
bonds (distance) C4'-P energy: -33.072
bonds (distance) P-C4' energy: -37.608
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -19.671
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: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -339.952500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.952500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.952500 (E_RNA)
where:
Base-Base interactions energy: -202.294
where: short stacking energy: -107.469
Base-Backbone interact. energy: -0.877
local terms energy: -136.781590
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -32.559
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -19.877
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: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -296.718112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.718112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.718112 (E_RNA)
where:
Base-Base interactions energy: -180.449
where: short stacking energy: -87.781
Base-Backbone interact. energy: -0.211
local terms energy: -116.058312
where:
bonds (distance) C4'-P energy: -31.718
bonds (distance) P-C4' energy: -33.198
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -297.465768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.465768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.465768 (E_RNA)
where:
Base-Base interactions energy: -166.249
where: short stacking energy: -85.577
Base-Backbone interact. energy: -2.777
local terms energy: -128.674988
where:
bonds (distance) C4'-P energy: -35.474
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -30.529
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.235 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -164.299362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.299362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.299362 (E_RNA)
where:
Base-Base interactions energy: -71.276
where: short stacking energy: -65.843
Base-Backbone interact. energy: -0.311
local terms energy: -92.711521
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -604.260298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.260298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.260298 (E_RNA)
where:
Base-Base interactions energy: -417.704
where: short stacking energy: -158.603
Base-Backbone interact. energy: -2.038
local terms energy: -184.518358
where:
bonds (distance) C4'-P energy: -38.585
bonds (distance) P-C4' energy: -37.588
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -30.245
tors. eta vs tors. theta energy: -44.882
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: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -574.216745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.216745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.216745 (E_RNA)
where:
Base-Base interactions energy: -409.800
where: short stacking energy: -157.633
Base-Backbone interact. energy: 3.276
local terms energy: -168.694931
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -39.281
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -42.600
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: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -569.542688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.542688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.542688 (E_RNA)
where:
Base-Base interactions energy: -394.487
where: short stacking energy: -151.501
Base-Backbone interact. energy: -0.980
local terms energy: -174.076048
where:
bonds (distance) C4'-P energy: -34.803
bonds (distance) P-C4' energy: -40.276
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -43.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -529.463425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.463425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.463425 (E_RNA)
where:
Base-Base interactions energy: -374.123
where: short stacking energy: -148.022
Base-Backbone interact. energy: -0.512
local terms energy: -154.828184
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -28.579
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -44.453
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: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -492.937384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.937384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.937384 (E_RNA)
where:
Base-Base interactions energy: -327.709
where: short stacking energy: -133.172
Base-Backbone interact. energy: -0.408
local terms energy: -164.819474
where:
bonds (distance) C4'-P energy: -37.235
bonds (distance) P-C4' energy: -39.321
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -29.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -413.946178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.946178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.946178 (E_RNA)
where:
Base-Base interactions energy: -266.041
where: short stacking energy: -114.214
Base-Backbone interact. energy: -0.377
local terms energy: -147.528831
where:
bonds (distance) C4'-P energy: -33.448
bonds (distance) P-C4' energy: -37.161
flat angles C4'-P-C4' energy: -33.380
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -364.558329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.558329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.558329 (E_RNA)
where:
Base-Base interactions energy: -238.076
where: short stacking energy: -95.895
Base-Backbone interact. energy: -0.463
local terms energy: -126.019802
where:
bonds (distance) C4'-P energy: -35.829
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -25.023
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: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -304.676519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.676519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.676519 (E_RNA)
where:
Base-Base interactions energy: -193.485
where: short stacking energy: -103.110
Base-Backbone interact. energy: -0.239
local terms energy: -110.951856
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -19.894
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: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -278.373003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.373003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.373003 (E_RNA)
where:
Base-Base interactions energy: -163.462
where: short stacking energy: -80.015
Base-Backbone interact. energy: -0.433
local terms energy: -114.478294
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -31.084
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -179.686584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.686584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.686584 (E_RNA)
where:
Base-Base interactions energy: -83.549
where: short stacking energy: -57.374
Base-Backbone interact. energy: -0.958
local terms energy: -95.179443
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: 6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -614.031287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.031287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.031287 (E_RNA)
where:
Base-Base interactions energy: -424.062
where: short stacking energy: -159.328
Base-Backbone interact. energy: -2.072
local terms energy: -187.897247
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -31.488
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -32.165
tors. eta vs tors. theta energy: -50.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -584.362976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.362976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.362976 (E_RNA)
where:
Base-Base interactions energy: -402.169
where: short stacking energy: -165.970
Base-Backbone interact. energy: -0.622
local terms energy: -181.572864
where:
bonds (distance) C4'-P energy: -36.221
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -42.366
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -48.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -561.386329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.386329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.386329 (E_RNA)
where:
Base-Base interactions energy: -386.480
where: short stacking energy: -140.662
Base-Backbone interact. energy: -0.599
local terms energy: -174.307950
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -36.067
flat angles C4'-P-C4' energy: -45.293
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -38.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -538.300479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.300479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.300479 (E_RNA)
where:
Base-Base interactions energy: -363.686
where: short stacking energy: -147.662
Base-Backbone interact. energy: 0.184
local terms energy: -174.798971
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -37.213
flat angles C4'-P-C4' energy: -38.934
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -40.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -486.536388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.536388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.536388 (E_RNA)
where:
Base-Base interactions energy: -322.102
where: short stacking energy: -126.208
Base-Backbone interact. energy: -1.035
local terms energy: -163.399156
where:
bonds (distance) C4'-P energy: -38.038
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -37.580
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -36.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -402.052215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.052215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.052215 (E_RNA)
where:
Base-Base interactions energy: -253.575
where: short stacking energy: -105.590
Base-Backbone interact. energy: -1.118
local terms energy: -147.359287
where:
bonds (distance) C4'-P energy: -32.525
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -36.244
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -19.981
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: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -343.909789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.909789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.909789 (E_RNA)
where:
Base-Base interactions energy: -220.541
where: short stacking energy: -97.645
Base-Backbone interact. energy: -0.582
local terms energy: -122.787377
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -299.824863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.824863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.824863 (E_RNA)
where:
Base-Base interactions energy: -176.883
where: short stacking energy: -75.478
Base-Backbone interact. energy: 1.414
local terms energy: -124.355968
where:
bonds (distance) C4'-P energy: -27.288
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -288.715973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.715973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.715973 (E_RNA)
where:
Base-Base interactions energy: -179.469
where: short stacking energy: -80.395
Base-Backbone interact. energy: -3.077
local terms energy: -106.169161
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -175.011868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.011868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.011868 (E_RNA)
where:
Base-Base interactions energy: -95.428
where: short stacking energy: -51.598
Base-Backbone interact. energy: -1.018
local terms energy: -78.565822
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -30.133
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: 6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -597.837669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.837669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.837669 (E_RNA)
where:
Base-Base interactions energy: -424.114
where: short stacking energy: -159.112
Base-Backbone interact. energy: -2.166
local terms energy: -172.054282
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -32.259
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -26.295
tors. eta vs tors. theta energy: -46.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.496 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -582.155219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.155219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.155219 (E_RNA)
where:
Base-Base interactions energy: -399.876
where: short stacking energy: -158.353
Base-Backbone interact. energy: -0.738
local terms energy: -181.540777
where:
bonds (distance) C4'-P energy: -36.490
bonds (distance) P-C4' energy: -40.198
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -46.869
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: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -563.068451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.068451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.068451 (E_RNA)
where:
Base-Base interactions energy: -380.109
where: short stacking energy: -155.526
Base-Backbone interact. energy: -2.170
local terms energy: -180.789836
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -39.417
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -46.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -538.294393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.294393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.294393 (E_RNA)
where:
Base-Base interactions energy: -364.084
where: short stacking energy: -153.156
Base-Backbone interact. energy: -1.568
local terms energy: -172.643022
where:
bonds (distance) C4'-P energy: -36.034
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -41.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -465.301663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.301663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.301663 (E_RNA)
where:
Base-Base interactions energy: -310.307
where: short stacking energy: -124.502
Base-Backbone interact. energy: -2.213
local terms energy: -153.190079
where:
bonds (distance) C4'-P energy: -31.436
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -28.716
flat angles P-C4'-P energy: -26.675
tors. eta vs tors. theta energy: -31.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.408 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -419.952559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.952559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.952559 (E_RNA)
where:
Base-Base interactions energy: -279.132
where: short stacking energy: -111.180
Base-Backbone interact. energy: -0.525
local terms energy: -140.295896
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -25.237
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: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -375.984888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.984888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.984888 (E_RNA)
where:
Base-Base interactions energy: -232.078
where: short stacking energy: -99.127
Base-Backbone interact. energy: 0.510
local terms energy: -144.417310
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -33.122
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -27.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -312.456161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.456161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.456161 (E_RNA)
where:
Base-Base interactions energy: -194.588
where: short stacking energy: -91.131
Base-Backbone interact. energy: -1.007
local terms energy: -116.861676
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -9.055
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -298.258567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.258567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.258567 (E_RNA)
where:
Base-Base interactions energy: -182.709
where: short stacking energy: -76.451
Base-Backbone interact. energy: -0.490
local terms energy: -115.059408
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -40.900
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -160.427698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.427698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.427698 (E_RNA)
where:
Base-Base interactions energy: -52.643
where: short stacking energy: -37.475
Base-Backbone interact. energy: 1.050
local terms energy: -108.835043
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -39.391
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -603.972858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.972858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.972858 (E_RNA)
where:
Base-Base interactions energy: -424.583
where: short stacking energy: -173.979
Base-Backbone interact. energy: -1.966
local terms energy: -177.727638
where:
bonds (distance) C4'-P energy: -33.349
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -20.446
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: 0.303 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -580.292499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.292499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.292499 (E_RNA)
where:
Base-Base interactions energy: -395.093
where: short stacking energy: -149.099
Base-Backbone interact. energy: -0.855
local terms energy: -184.344746
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -41.667
flat angles C4'-P-C4' energy: -33.340
flat angles P-C4'-P energy: -25.495
tors. eta vs tors. theta energy: -49.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -570.107401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.107401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.107401 (E_RNA)
where:
Base-Base interactions energy: -392.705
where: short stacking energy: -159.992
Base-Backbone interact. energy: -0.158
local terms energy: -177.245095
where:
bonds (distance) C4'-P energy: -28.243
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -39.904
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -47.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -542.127537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.127537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.127537 (E_RNA)
where:
Base-Base interactions energy: -376.817
where: short stacking energy: -154.488
Base-Backbone interact. energy: 0.346
local terms energy: -165.656672
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -45.245
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: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -488.184480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.184480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.184480 (E_RNA)
where:
Base-Base interactions energy: -321.624
where: short stacking energy: -138.214
Base-Backbone interact. energy: -0.421
local terms energy: -166.138827
where:
bonds (distance) C4'-P energy: -36.598
bonds (distance) P-C4' energy: -35.874
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -39.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -375.049114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.049114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.049114 (E_RNA)
where:
Base-Base interactions energy: -235.256
where: short stacking energy: -104.852
Base-Backbone interact. energy: -1.277
local terms energy: -138.528646
where:
bonds (distance) C4'-P energy: -27.402
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -35.623
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.013 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -414.290412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.290412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.290412 (E_RNA)
where:
Base-Base interactions energy: -289.116
where: short stacking energy: -115.874
Base-Backbone interact. energy: -0.556
local terms energy: -124.619022
where:
bonds (distance) C4'-P energy: -33.382
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -20.872
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: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -331.423870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.423870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.423870 (E_RNA)
where:
Base-Base interactions energy: -191.307
where: short stacking energy: -91.042
Base-Backbone interact. energy: 0.686
local terms energy: -140.803531
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -36.964
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -22.495
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: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -263.080604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.080604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.080604 (E_RNA)
where:
Base-Base interactions energy: -150.947
where: short stacking energy: -78.397
Base-Backbone interact. energy: -0.809
local terms energy: -111.324753
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -13.484
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: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -181.898939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.898939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.898939 (E_RNA)
where:
Base-Base interactions energy: -76.990
where: short stacking energy: -51.374
Base-Backbone interact. energy: -1.369
local terms energy: -103.540021
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -20.190
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: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -588.317165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.317165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.317165 (E_RNA)
where:
Base-Base interactions energy: -402.462
where: short stacking energy: -158.801
Base-Backbone interact. energy: -0.931
local terms energy: -185.273088
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -37.965
flat angles P-C4'-P energy: -28.236
tors. eta vs tors. theta energy: -46.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.349 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -575.339698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.339698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.339698 (E_RNA)
where:
Base-Base interactions energy: -406.478
where: short stacking energy: -154.295
Base-Backbone interact. energy: -1.335
local terms energy: -167.526449
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -41.603
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -39.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -557.538672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.538672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.538672 (E_RNA)
where:
Base-Base interactions energy: -386.327
where: short stacking energy: -149.505
Base-Backbone interact. energy: -1.007
local terms energy: -170.205557
where:
bonds (distance) C4'-P energy: -33.428
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -38.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -537.685854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.685854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.685854 (E_RNA)
where:
Base-Base interactions energy: -378.408
where: short stacking energy: -149.760
Base-Backbone interact. energy: -1.135
local terms energy: -158.142181
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -41.334
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: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -480.959024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.959024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.959024 (E_RNA)
where:
Base-Base interactions energy: -311.628
where: short stacking energy: -133.610
Base-Backbone interact. energy: -1.224
local terms energy: -168.107669
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -40.079
flat angles P-C4'-P energy: -28.220
tors. eta vs tors. theta energy: -37.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -368.224528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.224528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.224528 (E_RNA)
where:
Base-Base interactions energy: -213.056
where: short stacking energy: -100.286
Base-Backbone interact. energy: 0.716
local terms energy: -155.884995
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -27.456
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: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -418.123895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.123895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.123895 (E_RNA)
where:
Base-Base interactions energy: -269.245
where: short stacking energy: -120.696
Base-Backbone interact. energy: -0.992
local terms energy: -147.886512
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -28.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -333.655633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.655633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.655633 (E_RNA)
where:
Base-Base interactions energy: -196.827
where: short stacking energy: -94.897
Base-Backbone interact. energy: -0.171
local terms energy: -136.658285
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -34.395
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -18.968
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: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -177.405888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.405888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.405888 (E_RNA)
where:
Base-Base interactions energy: -72.468
where: short stacking energy: -48.720
Base-Backbone interact. energy: -0.210
local terms energy: -104.728799
where:
bonds (distance) C4'-P energy: -32.029
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: 2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -231.678995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.678995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.678995 (E_RNA)
where:
Base-Base interactions energy: -116.536
where: short stacking energy: -62.769
Base-Backbone interact. energy: -0.948
local terms energy: -114.194470
where:
bonds (distance) C4'-P energy: -28.732
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -5.890
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: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -599.452742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.452742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.452742 (E_RNA)
where:
Base-Base interactions energy: -416.883
where: short stacking energy: -165.610
Base-Backbone interact. energy: -2.099
local terms energy: -180.470373
where:
bonds (distance) C4'-P energy: -40.908
bonds (distance) P-C4' energy: -39.710
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -45.432
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: 407
Temperature: 0.950000
Total energy: -579.623295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.623295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.623295 (E_RNA)
where:
Base-Base interactions energy: -396.684
where: short stacking energy: -157.515
Base-Backbone interact. energy: -1.537
local terms energy: -181.402079
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -39.477
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -43.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -540.504016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.504016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.504016 (E_RNA)
where:
Base-Base interactions energy: -376.318
where: short stacking energy: -153.848
Base-Backbone interact. energy: -2.081
local terms energy: -162.105318
where:
bonds (distance) C4'-P energy: -37.135
bonds (distance) P-C4' energy: -36.226
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -35.651
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: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -538.953642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.953642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.953642 (E_RNA)
where:
Base-Base interactions energy: -369.560
where: short stacking energy: -147.485
Base-Backbone interact. energy: 0.236
local terms energy: -169.630105
where:
bonds (distance) C4'-P energy: -32.718
bonds (distance) P-C4' energy: -36.812
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -41.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -467.149677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.149677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.149677 (E_RNA)
where:
Base-Base interactions energy: -322.881
where: short stacking energy: -116.815
Base-Backbone interact. energy: -0.762
local terms energy: -143.506942
where:
bonds (distance) C4'-P energy: -31.920
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: -26.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -415.086631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.086631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.086631 (E_RNA)
where:
Base-Base interactions energy: -281.790
where: short stacking energy: -122.256
Base-Backbone interact. energy: 2.609
local terms energy: -135.905956
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -41.042
flat angles C4'-P-C4' energy: -29.450
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -370.658360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.658360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.658360 (E_RNA)
where:
Base-Base interactions energy: -241.158
where: short stacking energy: -95.173
Base-Backbone interact. energy: -1.017
local terms energy: -128.483155
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -13.777
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: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -296.902577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.902577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.902577 (E_RNA)
where:
Base-Base interactions energy: -185.297
where: short stacking energy: -89.587
Base-Backbone interact. energy: -0.917
local terms energy: -110.688060
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -162.743803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.743803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.743803 (E_RNA)
where:
Base-Base interactions energy: -58.566
where: short stacking energy: -47.128
Base-Backbone interact. energy: -0.735
local terms energy: -103.442613
where:
bonds (distance) C4'-P energy: -24.927
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -18.313
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: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -229.097145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.097145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.097145 (E_RNA)
where:
Base-Base interactions energy: -111.045
where: short stacking energy: -44.881
Base-Backbone interact. energy: -1.762
local terms energy: -116.289770
where:
bonds (distance) C4'-P energy: -34.163
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -7.527
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: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -590.064525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.064525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.064525 (E_RNA)
where:
Base-Base interactions energy: -406.169
where: short stacking energy: -153.993
Base-Backbone interact. energy: -1.294
local terms energy: -182.601460
where:
bonds (distance) C4'-P energy: -36.537
bonds (distance) P-C4' energy: -41.050
flat angles C4'-P-C4' energy: -41.679
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -583.895353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.895353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.895353 (E_RNA)
where:
Base-Base interactions energy: -404.057
where: short stacking energy: -165.071
Base-Backbone interact. energy: -0.173
local terms energy: -179.664797
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -35.376
flat angles C4'-P-C4' energy: -36.854
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -49.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -555.345191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.345191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.345191 (E_RNA)
where:
Base-Base interactions energy: -374.338
where: short stacking energy: -146.038
Base-Backbone interact. energy: -1.517
local terms energy: -179.490035
where:
bonds (distance) C4'-P energy: -34.975
bonds (distance) P-C4' energy: -40.356
flat angles C4'-P-C4' energy: -36.480
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -42.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -539.312467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.312467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.312467 (E_RNA)
where:
Base-Base interactions energy: -371.742
where: short stacking energy: -136.679
Base-Backbone interact. energy: 1.267
local terms energy: -168.837968
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -28.143
tors. eta vs tors. theta energy: -38.780
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: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -507.000648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.000648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.000648 (E_RNA)
where:
Base-Base interactions energy: -343.332
where: short stacking energy: -130.524
Base-Backbone interact. energy: -0.555
local terms energy: -163.395361
where:
bonds (distance) C4'-P energy: -39.642
bonds (distance) P-C4' energy: -28.278
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -37.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.282 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -445.063884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.063884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.063884 (E_RNA)
where:
Base-Base interactions energy: -305.771
where: short stacking energy: -104.212
Base-Backbone interact. energy: -0.594
local terms energy: -138.749249
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -35.866
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.050 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -363.347253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.347253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.347253 (E_RNA)
where:
Base-Base interactions energy: -216.272
where: short stacking energy: -105.114
Base-Backbone interact. energy: -1.534
local terms energy: -146.068104
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -36.750
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -28.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.527 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -274.409680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.409680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.409680 (E_RNA)
where:
Base-Base interactions energy: -157.394
where: short stacking energy: -58.347
Base-Backbone interact. energy: -1.700
local terms energy: -115.315485
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -37.902
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -1.545
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: 408
Temperature: 1.300000
Total energy: -229.897441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.897441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.897441 (E_RNA)
where:
Base-Base interactions energy: -115.260
where: short stacking energy: -58.595
Base-Backbone interact. energy: -1.635
local terms energy: -113.003408
where:
bonds (distance) C4'-P energy: -31.110
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -165.265990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.265990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.265990 (E_RNA)
where:
Base-Base interactions energy: -66.702
where: short stacking energy: -52.022
Base-Backbone interact. energy: 0.817
local terms energy: -99.381422
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -27.082
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: 2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -582.835862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.835862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.835862 (E_RNA)
where:
Base-Base interactions energy: -399.740
where: short stacking energy: -162.562
Base-Backbone interact. energy: -0.830
local terms energy: -182.296057
where:
bonds (distance) C4'-P energy: -32.647
bonds (distance) P-C4' energy: -42.739
flat angles C4'-P-C4' energy: -35.345
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: -46.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -574.721109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.721109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.721109 (E_RNA)
where:
Base-Base interactions energy: -402.806
where: short stacking energy: -161.694
Base-Backbone interact. energy: -0.871
local terms energy: -171.044437
where:
bonds (distance) C4'-P energy: -34.785
bonds (distance) P-C4' energy: -33.629
flat angles C4'-P-C4' energy: -35.099
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -44.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -566.439973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.439973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.439973 (E_RNA)
where:
Base-Base interactions energy: -379.626
where: short stacking energy: -151.905
Base-Backbone interact. energy: -1.430
local terms energy: -185.384048
where:
bonds (distance) C4'-P energy: -34.607
bonds (distance) P-C4' energy: -35.044
flat angles C4'-P-C4' energy: -39.956
flat angles P-C4'-P energy: -29.345
tors. eta vs tors. theta energy: -46.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -504.105367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.105367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.105367 (E_RNA)
where:
Base-Base interactions energy: -341.985
where: short stacking energy: -130.737
Base-Backbone interact. energy: -0.431
local terms energy: -161.689319
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -36.836
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -38.570
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: 409
Temperature: 1.100000
Total energy: -512.001474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.001474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.001474 (E_RNA)
where:
Base-Base interactions energy: -344.805
where: short stacking energy: -135.223
Base-Backbone interact. energy: 0.268
local terms energy: -167.465023
where:
bonds (distance) C4'-P energy: -26.593
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -35.230
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -41.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -415.102224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.102224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.102224 (E_RNA)
where:
Base-Base interactions energy: -290.576
where: short stacking energy: -110.381
Base-Backbone interact. energy: -0.582
local terms energy: -123.943965
where:
bonds (distance) C4'-P energy: -33.346
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -23.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -336.296150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.296150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.296150 (E_RNA)
where:
Base-Base interactions energy: -190.548
where: short stacking energy: -91.118
Base-Backbone interact. energy: -2.217
local terms energy: -143.531179
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -34.973
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -24.380
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: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -280.435286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.435286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.435286 (E_RNA)
where:
Base-Base interactions energy: -153.161
where: short stacking energy: -73.022
Base-Backbone interact. energy: 0.306
local terms energy: -127.580272
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -38.468
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -227.861433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.861433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.861433 (E_RNA)
where:
Base-Base interactions energy: -118.706
where: short stacking energy: -67.221
Base-Backbone interact. energy: 1.073
local terms energy: -110.227894
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -184.132934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.132934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.132934 (E_RNA)
where:
Base-Base interactions energy: -75.418
where: short stacking energy: -56.170
Base-Backbone interact. energy: 1.131
local terms energy: -109.845931
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -32.995
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -594.718894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.718894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.718894 (E_RNA)
where:
Base-Base interactions energy: -411.804
where: short stacking energy: -169.797
Base-Backbone interact. energy: 0.039
local terms energy: -182.954077
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -34.995
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -51.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -590.103471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.103471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.103471 (E_RNA)
where:
Base-Base interactions energy: -402.612
where: short stacking energy: -162.895
Base-Backbone interact. energy: -0.878
local terms energy: -186.613998
where:
bonds (distance) C4'-P energy: -35.452
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -41.067
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -49.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -552.022156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.022156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.022156 (E_RNA)
where:
Base-Base interactions energy: -392.260
where: short stacking energy: -157.230
Base-Backbone interact. energy: -0.844
local terms energy: -158.918190
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -37.417
flat angles P-C4'-P energy: -25.512
tors. eta vs tors. theta energy: -40.353
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: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -499.348057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.348057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.348057 (E_RNA)
where:
Base-Base interactions energy: -333.032
where: short stacking energy: -117.626
Base-Backbone interact. energy: -0.660
local terms energy: -165.656005
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -36.050
flat angles P-C4'-P energy: -21.115
tors. eta vs tors. theta energy: -38.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -492.098296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.098296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.098296 (E_RNA)
where:
Base-Base interactions energy: -330.623
where: short stacking energy: -136.874
Base-Backbone interact. energy: -0.663
local terms energy: -160.811894
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -34.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -420.809064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.809064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.809064 (E_RNA)
where:
Base-Base interactions energy: -279.090
where: short stacking energy: -122.044
Base-Backbone interact. energy: -1.465
local terms energy: -140.254026
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -25.057
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: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -321.398258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.398258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.398258 (E_RNA)
where:
Base-Base interactions energy: -176.961
where: short stacking energy: -82.350
Base-Backbone interact. energy: -0.316
local terms energy: -144.121155
where:
bonds (distance) C4'-P energy: -38.063
bonds (distance) P-C4' energy: -38.717
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -18.701
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: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -289.280299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.280299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.280299 (E_RNA)
where:
Base-Base interactions energy: -178.316
where: short stacking energy: -71.908
Base-Backbone interact. energy: -0.294
local terms energy: -110.669792
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -32.608
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -5.994
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: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -228.743040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.743040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.743040 (E_RNA)
where:
Base-Base interactions energy: -125.565
where: short stacking energy: -60.911
Base-Backbone interact. energy: 4.139
local terms energy: -107.316775
where:
bonds (distance) C4'-P energy: -28.744
bonds (distance) P-C4' energy: -33.100
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -4.677
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: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -157.636892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.636892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.636892 (E_RNA)
where:
Base-Base interactions energy: -61.453
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.162
local terms energy: -96.022286
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -599.289441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.289441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.289441 (E_RNA)
where:
Base-Base interactions energy: -421.970
where: short stacking energy: -162.388
Base-Backbone interact. energy: -0.815
local terms energy: -176.504494
where:
bonds (distance) C4'-P energy: -36.009
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -51.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -569.800130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.800130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.800130 (E_RNA)
where:
Base-Base interactions energy: -396.531
where: short stacking energy: -156.493
Base-Backbone interact. energy: -2.016
local terms energy: -171.253060
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -36.166
flat angles C4'-P-C4' energy: -38.370
flat angles P-C4'-P energy: -23.985
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: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -527.221496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.221496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.221496 (E_RNA)
where:
Base-Base interactions energy: -375.093
where: short stacking energy: -147.576
Base-Backbone interact. energy: 3.717
local terms energy: -155.845660
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -35.953
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -41.885
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: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -502.861791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.861791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.861791 (E_RNA)
where:
Base-Base interactions energy: -346.794
where: short stacking energy: -134.028
Base-Backbone interact. energy: -0.739
local terms energy: -155.328667
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: -36.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -482.128265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.128265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.128265 (E_RNA)
where:
Base-Base interactions energy: -314.372
where: short stacking energy: -129.356
Base-Backbone interact. energy: -2.743
local terms energy: -165.013532
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -34.402
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -33.812
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: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -442.771599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.771599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.771599 (E_RNA)
where:
Base-Base interactions energy: -298.992
where: short stacking energy: -112.157
Base-Backbone interact. energy: -0.984
local terms energy: -142.795245
where:
bonds (distance) C4'-P energy: -33.684
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -29.136
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: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -319.790637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.790637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.790637 (E_RNA)
where:
Base-Base interactions energy: -192.614
where: short stacking energy: -93.055
Base-Backbone interact. energy: -1.738
local terms energy: -125.439052
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -38.287
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -18.432
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -307.958456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.958456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.958456 (E_RNA)
where:
Base-Base interactions energy: -196.289
where: short stacking energy: -75.036
Base-Backbone interact. energy: -1.421
local terms energy: -110.249051
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -12.362
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: 411
Temperature: 1.300000
Total energy: -223.145149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.145149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.145149 (E_RNA)
where:
Base-Base interactions energy: -121.944
where: short stacking energy: -75.059
Base-Backbone interact. energy: 1.013
local terms energy: -102.214014
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -159.668423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.668423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.668423 (E_RNA)
where:
Base-Base interactions energy: -51.703
where: short stacking energy: -30.072
Base-Backbone interact. energy: -0.580
local terms energy: -107.385023
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: 5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -608.681576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.681576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.681576 (E_RNA)
where:
Base-Base interactions energy: -422.213
where: short stacking energy: -179.928
Base-Backbone interact. energy: -1.625
local terms energy: -184.844345
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -39.592
flat angles P-C4'-P energy: -24.535
tors. eta vs tors. theta energy: -55.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -577.710604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.710604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.710604 (E_RNA)
where:
Base-Base interactions energy: -398.065
where: short stacking energy: -162.530
Base-Backbone interact. energy: -1.426
local terms energy: -178.219682
where:
bonds (distance) C4'-P energy: -35.649
bonds (distance) P-C4' energy: -33.104
flat angles C4'-P-C4' energy: -37.144
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -48.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -535.214082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.214082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.214082 (E_RNA)
where:
Base-Base interactions energy: -356.460
where: short stacking energy: -157.003
Base-Backbone interact. energy: -0.956
local terms energy: -177.797731
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -33.435
flat angles P-C4'-P energy: -17.941
tors. eta vs tors. theta energy: -51.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -507.497169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.497169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.497169 (E_RNA)
where:
Base-Base interactions energy: -340.350
where: short stacking energy: -133.978
Base-Backbone interact. energy: -1.531
local terms energy: -165.616301
where:
bonds (distance) C4'-P energy: -38.081
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -37.920
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -35.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -508.780247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.780247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.780247 (E_RNA)
where:
Base-Base interactions energy: -346.759
where: short stacking energy: -130.035
Base-Backbone interact. energy: 2.757
local terms energy: -164.778599
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -26.425
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -39.067
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: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -423.379813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.379813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.379813 (E_RNA)
where:
Base-Base interactions energy: -270.511
where: short stacking energy: -121.353
Base-Backbone interact. energy: -0.818
local terms energy: -152.050919
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -35.029
flat angles C4'-P-C4' energy: -33.374
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -31.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -307.977875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.977875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.977875 (E_RNA)
where:
Base-Base interactions energy: -180.637
where: short stacking energy: -86.550
Base-Backbone interact. energy: -0.863
local terms energy: -126.477792
where:
bonds (distance) C4'-P energy: -35.194
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -282.226977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.226977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.226977 (E_RNA)
where:
Base-Base interactions energy: -154.150
where: short stacking energy: -71.778
Base-Backbone interact. energy: 0.622
local terms energy: -128.698880
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -30.196
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -236.351382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.351382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.351382 (E_RNA)
where:
Base-Base interactions energy: -124.160
where: short stacking energy: -72.874
Base-Backbone interact. energy: 0.331
local terms energy: -112.522344
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -26.996
flat angles C4'-P-C4' energy: -32.561
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -5.461
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: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -158.263954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.263954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.263954 (E_RNA)
where:
Base-Base interactions energy: -70.871
where: short stacking energy: -44.619
Base-Backbone interact. energy: -1.260
local terms energy: -86.132860
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -33.675
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: 7.229
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: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -599.285666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.285666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.285666 (E_RNA)
where:
Base-Base interactions energy: -407.650
where: short stacking energy: -162.343
Base-Backbone interact. energy: -2.483
local terms energy: -189.152830
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -41.315
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -54.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -577.724993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.724993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.724993 (E_RNA)
where:
Base-Base interactions energy: -390.958
where: short stacking energy: -150.850
Base-Backbone interact. energy: -1.657
local terms energy: -185.110794
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -34.347
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -31.257
tors. eta vs tors. theta energy: -48.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -528.014200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.014200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.014200 (E_RNA)
where:
Base-Base interactions energy: -357.837
where: short stacking energy: -141.754
Base-Backbone interact. energy: -0.441
local terms energy: -169.736199
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -31.573
flat angles C4'-P-C4' energy: -39.101
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -40.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -494.852448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.852448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.852448 (E_RNA)
where:
Base-Base interactions energy: -335.494
where: short stacking energy: -145.103
Base-Backbone interact. energy: -0.277
local terms energy: -159.177566
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -34.868
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -38.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.096 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -495.578731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.578731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.578731 (E_RNA)
where:
Base-Base interactions energy: -349.302
where: short stacking energy: -138.915
Base-Backbone interact. energy: -0.015
local terms energy: -146.261713
where:
bonds (distance) C4'-P energy: -32.728
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -28.386
flat angles P-C4'-P energy: -19.637
tors. eta vs tors. theta energy: -30.315
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: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -407.449468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.449468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.449468 (E_RNA)
where:
Base-Base interactions energy: -271.683
where: short stacking energy: -110.024
Base-Backbone interact. energy: -0.425
local terms energy: -135.341778
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -36.994
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -25.731
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -320.745599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.745599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.745599 (E_RNA)
where:
Base-Base interactions energy: -192.937
where: short stacking energy: -94.670
Base-Backbone interact. energy: -2.745
local terms energy: -125.767198
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.704 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -283.095763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.095763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.095763 (E_RNA)
where:
Base-Base interactions energy: -159.072
where: short stacking energy: -68.945
Base-Backbone interact. energy: -0.470
local terms energy: -123.554125
where:
bonds (distance) C4'-P energy: -30.218
bonds (distance) P-C4' energy: -34.881
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -2.232
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: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -240.900202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.900202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.900202 (E_RNA)
where:
Base-Base interactions energy: -128.815
where: short stacking energy: -61.826
Base-Backbone interact. energy: -0.807
local terms energy: -111.682816
where:
bonds (distance) C4'-P energy: -34.078
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.405 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -156.833004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.833004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.833004 (E_RNA)
where:
Base-Base interactions energy: -67.538
where: short stacking energy: -54.921
Base-Backbone interact. energy: -1.166
local terms energy: -88.128258
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -36.406
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: 2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -595.360614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.360614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.360614 (E_RNA)
where:
Base-Base interactions energy: -414.980
where: short stacking energy: -166.415
Base-Backbone interact. energy: -0.839
local terms energy: -179.541472
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -37.817
flat angles C4'-P-C4' energy: -40.103
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -45.822
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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -563.764387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.764387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.764387 (E_RNA)
where:
Base-Base interactions energy: -386.490
where: short stacking energy: -151.271
Base-Backbone interact. energy: -0.619
local terms energy: -176.886008
where:
bonds (distance) C4'-P energy: -37.622
bonds (distance) P-C4' energy: -37.614
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -38.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.231 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -548.877696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.877696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.877696 (E_RNA)
where:
Base-Base interactions energy: -377.345
where: short stacking energy: -140.741
Base-Backbone interact. energy: -1.683
local terms energy: -169.849763
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -29.448
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -39.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -499.619369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.619369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.619369 (E_RNA)
where:
Base-Base interactions energy: -322.161
where: short stacking energy: -133.994
Base-Backbone interact. energy: -0.257
local terms energy: -177.200901
where:
bonds (distance) C4'-P energy: -38.471
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: -40.137
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: 414
Temperature: 1.100000
Total energy: -497.852106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.852106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.852106 (E_RNA)
where:
Base-Base interactions energy: -349.823
where: short stacking energy: -129.376
Base-Backbone interact. energy: -0.919
local terms energy: -147.110282
where:
bonds (distance) C4'-P energy: -30.050
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -30.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -426.874077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.874077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.874077 (E_RNA)
where:
Base-Base interactions energy: -271.901
where: short stacking energy: -120.372
Base-Backbone interact. energy: -0.306
local terms energy: -154.666958
where:
bonds (distance) C4'-P energy: -35.523
bonds (distance) P-C4' energy: -40.216
flat angles C4'-P-C4' energy: -35.558
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -306.683187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.683187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.683187 (E_RNA)
where:
Base-Base interactions energy: -174.856
where: short stacking energy: -90.576
Base-Backbone interact. energy: 0.751
local terms energy: -132.577557
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -294.350798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.350798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.350798 (E_RNA)
where:
Base-Base interactions energy: -166.083
where: short stacking energy: -72.922
Base-Backbone interact. energy: 0.220
local terms energy: -128.554605
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -237.958105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.958105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.958105 (E_RNA)
where:
Base-Base interactions energy: -125.403
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.631
local terms energy: -111.924590
where:
bonds (distance) C4'-P energy: -32.674
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -31.560
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -164.015409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.015409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.015409 (E_RNA)
where:
Base-Base interactions energy: -66.178
where: short stacking energy: -65.227
Base-Backbone interact. energy: 0.210
local terms energy: -98.046998
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -5.291
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: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -601.022413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.022413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.022413 (E_RNA)
where:
Base-Base interactions energy: -418.227
where: short stacking energy: -156.156
Base-Backbone interact. energy: -0.406
local terms energy: -182.389234
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -30.773
tors. eta vs tors. theta energy: -47.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -561.442762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.442762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.442762 (E_RNA)
where:
Base-Base interactions energy: -379.099
where: short stacking energy: -141.526
Base-Backbone interact. energy: 0.196
local terms energy: -183.703054
where:
bonds (distance) C4'-P energy: -30.543
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -47.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.164 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -533.805149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.805149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.805149 (E_RNA)
where:
Base-Base interactions energy: -384.056
where: short stacking energy: -135.829
Base-Backbone interact. energy: -0.178
local terms energy: -149.570920
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -33.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -519.663649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.663649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.663649 (E_RNA)
where:
Base-Base interactions energy: -361.953
where: short stacking energy: -141.416
Base-Backbone interact. energy: 1.511
local terms energy: -159.221674
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -40.006
flat angles C4'-P-C4' energy: -37.115
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -32.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -461.739738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.739738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.739738 (E_RNA)
where:
Base-Base interactions energy: -317.782
where: short stacking energy: -128.719
Base-Backbone interact. energy: 0.788
local terms energy: -144.745277
where:
bonds (distance) C4'-P energy: -34.235
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -32.778
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: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -424.449160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.449160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.449160 (E_RNA)
where:
Base-Base interactions energy: -289.781
where: short stacking energy: -104.473
Base-Backbone interact. energy: -1.171
local terms energy: -133.497362
where:
bonds (distance) C4'-P energy: -28.530
bonds (distance) P-C4' energy: -40.801
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -294.028340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.028340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.028340 (E_RNA)
where:
Base-Base interactions energy: -163.346
where: short stacking energy: -73.496
Base-Backbone interact. energy: -1.654
local terms energy: -129.027738
where:
bonds (distance) C4'-P energy: -33.588
bonds (distance) P-C4' energy: -37.179
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -324.103086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.103086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.103086 (E_RNA)
where:
Base-Base interactions energy: -197.233
where: short stacking energy: -86.064
Base-Backbone interact. energy: -0.497
local terms energy: -126.372842
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -33.873
flat angles P-C4'-P energy: -18.374
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: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -231.159145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.159145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.159145 (E_RNA)
where:
Base-Base interactions energy: -122.942
where: short stacking energy: -77.341
Base-Backbone interact. energy: 0.213
local terms energy: -108.429735
where:
bonds (distance) C4'-P energy: -28.499
bonds (distance) P-C4' energy: -30.786
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -10.768
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: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -152.153892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.153892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.153892 (E_RNA)
where:
Base-Base interactions energy: -61.005
where: short stacking energy: -46.289
Base-Backbone interact. energy: -0.779
local terms energy: -90.369528
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: 4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -603.589361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.589361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.589361 (E_RNA)
where:
Base-Base interactions energy: -415.147
where: short stacking energy: -165.550
Base-Backbone interact. energy: -0.787
local terms energy: -187.655526
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -34.551
flat angles C4'-P-C4' energy: -34.225
flat angles P-C4'-P energy: -30.218
tors. eta vs tors. theta energy: -48.806
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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -559.921471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.921471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.921471 (E_RNA)
where:
Base-Base interactions energy: -376.015
where: short stacking energy: -148.144
Base-Backbone interact. energy: -0.665
local terms energy: -183.319616
where:
bonds (distance) C4'-P energy: -40.085
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -32.803
flat angles P-C4'-P energy: -28.545
tors. eta vs tors. theta energy: -48.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -546.088156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.088156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.088156 (E_RNA)
where:
Base-Base interactions energy: -386.332
where: short stacking energy: -127.323
Base-Backbone interact. energy: 0.104
local terms energy: -159.859735
where:
bonds (distance) C4'-P energy: -29.411
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -36.130
flat angles P-C4'-P energy: -28.164
tors. eta vs tors. theta energy: -36.308
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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -507.824309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.824309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.824309 (E_RNA)
where:
Base-Base interactions energy: -334.833
where: short stacking energy: -129.541
Base-Backbone interact. energy: -1.007
local terms energy: -172.851618
where:
bonds (distance) C4'-P energy: -35.732
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -38.072
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -38.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.867 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -446.252302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.252302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.252302 (E_RNA)
where:
Base-Base interactions energy: -301.539
where: short stacking energy: -116.776
Base-Backbone interact. energy: -2.331
local terms energy: -142.382133
where:
bonds (distance) C4'-P energy: -30.620
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -25.760
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: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -428.973127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.973127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.973127 (E_RNA)
where:
Base-Base interactions energy: -280.389
where: short stacking energy: -121.264
Base-Backbone interact. energy: 0.117
local terms energy: -148.701507
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -31.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -359.625123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.625123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.625123 (E_RNA)
where:
Base-Base interactions energy: -220.817
where: short stacking energy: -103.924
Base-Backbone interact. energy: 2.072
local terms energy: -140.880142
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -33.630
flat angles P-C4'-P energy: -26.487
tors. eta vs tors. theta energy: -19.024
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: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -287.364877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.364877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.364877 (E_RNA)
where:
Base-Base interactions energy: -162.559
where: short stacking energy: -69.924
Base-Backbone interact. energy: -0.522
local terms energy: -124.284278
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -7.142
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: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -246.577957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.577957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.577957 (E_RNA)
where:
Base-Base interactions energy: -141.137
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.354
local terms energy: -105.086966
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -36.810
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -9.984
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: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -144.288281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.288281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.288281 (E_RNA)
where:
Base-Base interactions energy: -53.455
where: short stacking energy: -52.301
Base-Backbone interact. energy: -0.628
local terms energy: -90.204628
where:
bonds (distance) C4'-P energy: -31.580
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: 2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -592.662239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.662239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.662239 (E_RNA)
where:
Base-Base interactions energy: -409.284
where: short stacking energy: -152.348
Base-Backbone interact. energy: -1.893
local terms energy: -181.485682
where:
bonds (distance) C4'-P energy: -37.728
bonds (distance) P-C4' energy: -41.211
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -41.437
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: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -570.170851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.170851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.170851 (E_RNA)
where:
Base-Base interactions energy: -393.132
where: short stacking energy: -145.066
Base-Backbone interact. energy: -1.013
local terms energy: -176.025689
where:
bonds (distance) C4'-P energy: -31.146
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -39.982
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -42.094
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: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -559.009543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.009543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.009543 (E_RNA)
where:
Base-Base interactions energy: -386.117
where: short stacking energy: -134.735
Base-Backbone interact. energy: -1.639
local terms energy: -171.253351
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -38.594
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: 417
Temperature: 1.050000
Total energy: -503.667507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.667507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.667507 (E_RNA)
where:
Base-Base interactions energy: -331.477
where: short stacking energy: -139.131
Base-Backbone interact. energy: -0.422
local terms energy: -171.767871
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -36.727
flat angles C4'-P-C4' energy: -37.415
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -38.645
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: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -438.836880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.836880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.836880 (E_RNA)
where:
Base-Base interactions energy: -291.151
where: short stacking energy: -111.470
Base-Backbone interact. energy: -0.832
local terms energy: -147.318607
where:
bonds (distance) C4'-P energy: -28.755
bonds (distance) P-C4' energy: -41.176
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -26.048
tors. eta vs tors. theta energy: -27.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.464 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -409.866761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.866761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.866761 (E_RNA)
where:
Base-Base interactions energy: -261.782
where: short stacking energy: -102.148
Base-Backbone interact. energy: -2.674
local terms energy: -145.411040
where:
bonds (distance) C4'-P energy: -38.545
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -25.908
tors. eta vs tors. theta energy: -17.184
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: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -322.703611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.703611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.703611 (E_RNA)
where:
Base-Base interactions energy: -194.736
where: short stacking energy: -87.114
Base-Backbone interact. energy: -0.178
local terms energy: -127.789511
where:
bonds (distance) C4'-P energy: -34.066
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -11.808
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: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -301.430184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.430184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.430184 (E_RNA)
where:
Base-Base interactions energy: -173.609
where: short stacking energy: -86.390
Base-Backbone interact. energy: -0.191
local terms energy: -127.630897
where:
bonds (distance) C4'-P energy: -31.828
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -7.138
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: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -252.326880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.326880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.326880 (E_RNA)
where:
Base-Base interactions energy: -136.210
where: short stacking energy: -74.298
Base-Backbone interact. energy: -0.700
local terms energy: -115.416833
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -33.606
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -8.578
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: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -197.479999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.479999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.479999 (E_RNA)
where:
Base-Base interactions energy: -87.626
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.520
local terms energy: -109.333853
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -589.497611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.497611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.497611 (E_RNA)
where:
Base-Base interactions energy: -404.043
where: short stacking energy: -167.086
Base-Backbone interact. energy: -1.892
local terms energy: -183.562428
where:
bonds (distance) C4'-P energy: -33.279
bonds (distance) P-C4' energy: -42.503
flat angles C4'-P-C4' energy: -35.349
flat angles P-C4'-P energy: -26.630
tors. eta vs tors. theta energy: -45.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -581.601207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.601207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.601207 (E_RNA)
where:
Base-Base interactions energy: -406.033
where: short stacking energy: -169.740
Base-Backbone interact. energy: -1.279
local terms energy: -174.289683
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -32.015
flat angles C4'-P-C4' energy: -35.108
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -50.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -551.597115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.597115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.597115 (E_RNA)
where:
Base-Base interactions energy: -382.568
where: short stacking energy: -149.622
Base-Backbone interact. energy: -0.620
local terms energy: -168.408818
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -35.930
flat angles C4'-P-C4' energy: -40.542
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -37.122
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: 418
Temperature: 1.050000
Total energy: -526.679477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.679477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.679477 (E_RNA)
where:
Base-Base interactions energy: -356.810
where: short stacking energy: -144.967
Base-Backbone interact. energy: -0.445
local terms energy: -170.459450
where:
bonds (distance) C4'-P energy: -37.695
bonds (distance) P-C4' energy: -36.474
flat angles C4'-P-C4' energy: -40.824
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -37.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.035 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -474.156617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.156617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.156617 (E_RNA)
where:
Base-Base interactions energy: -316.358
where: short stacking energy: -128.821
Base-Backbone interact. energy: -1.304
local terms energy: -156.494133
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -34.052
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -34.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -394.624242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.624242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.624242 (E_RNA)
where:
Base-Base interactions energy: -250.446
where: short stacking energy: -115.953
Base-Backbone interact. energy: 0.252
local terms energy: -144.429785
where:
bonds (distance) C4'-P energy: -31.287
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -27.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -335.528333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.528333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.528333 (E_RNA)
where:
Base-Base interactions energy: -193.096
where: short stacking energy: -90.621
Base-Backbone interact. energy: -0.512
local terms energy: -141.920972
where:
bonds (distance) C4'-P energy: -32.790
bonds (distance) P-C4' energy: -35.031
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -20.891
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -326.462897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.462897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.462897 (E_RNA)
where:
Base-Base interactions energy: -193.570
where: short stacking energy: -94.598
Base-Backbone interact. energy: 0.244
local terms energy: -133.136729
where:
bonds (distance) C4'-P energy: -28.574
bonds (distance) P-C4' energy: -29.749
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -23.008
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: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -249.224105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.224105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.224105 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -77.259
Base-Backbone interact. energy: 0.037
local terms energy: -111.725673
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -32.616
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -6.974
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: 418
Temperature: 1.350000
Total energy: -230.404779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.404779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.404779 (E_RNA)
where:
Base-Base interactions energy: -125.223
where: short stacking energy: -58.538
Base-Backbone interact. energy: 0.939
local terms energy: -106.120785
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: 0.174
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: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -589.375170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.375170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.375170 (E_RNA)
where:
Base-Base interactions energy: -402.710
where: short stacking energy: -161.962
Base-Backbone interact. energy: -0.427
local terms energy: -186.237545
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -37.471
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -46.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -602.626609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.626609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.626609 (E_RNA)
where:
Base-Base interactions energy: -424.056
where: short stacking energy: -159.476
Base-Backbone interact. energy: -0.865
local terms energy: -177.705104
where:
bonds (distance) C4'-P energy: -34.803
bonds (distance) P-C4' energy: -35.768
flat angles C4'-P-C4' energy: -35.604
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -46.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -559.085553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.085553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.085553 (E_RNA)
where:
Base-Base interactions energy: -386.562
where: short stacking energy: -138.688
Base-Backbone interact. energy: -0.850
local terms energy: -171.673002
where:
bonds (distance) C4'-P energy: -35.398
bonds (distance) P-C4' energy: -34.624
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -36.104
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -520.989520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.989520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.989520 (E_RNA)
where:
Base-Base interactions energy: -361.231
where: short stacking energy: -142.744
Base-Backbone interact. energy: 3.000
local terms energy: -162.757871
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -42.891
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -36.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -460.015242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.015242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.015242 (E_RNA)
where:
Base-Base interactions energy: -303.879
where: short stacking energy: -122.720
Base-Backbone interact. energy: -2.864
local terms energy: -153.272712
where:
bonds (distance) C4'-P energy: -36.934
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -28.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -441.774449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.774449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.774449 (E_RNA)
where:
Base-Base interactions energy: -299.997
where: short stacking energy: -119.062
Base-Backbone interact. energy: -1.881
local terms energy: -139.896362
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -37.158
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -348.421416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.421416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.421416 (E_RNA)
where:
Base-Base interactions energy: -225.056
where: short stacking energy: -97.427
Base-Backbone interact. energy: -0.246
local terms energy: -123.119199
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -30.944
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -21.378
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: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -283.013717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.013717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.013717 (E_RNA)
where:
Base-Base interactions energy: -160.561
where: short stacking energy: -91.960
Base-Backbone interact. energy: -0.657
local terms energy: -122.303789
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -19.535
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: 0.508 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -279.734758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.734758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.734758 (E_RNA)
where:
Base-Base interactions energy: -169.498
where: short stacking energy: -82.202
Base-Backbone interact. energy: 1.708
local terms energy: -111.945016
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -223.966357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.966357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.966357 (E_RNA)
where:
Base-Base interactions energy: -117.301
where: short stacking energy: -51.658
Base-Backbone interact. energy: 0.499
local terms energy: -107.164336
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -591.436500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.436500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.436500 (E_RNA)
where:
Base-Base interactions energy: -405.682
where: short stacking energy: -158.138
Base-Backbone interact. energy: -0.880
local terms energy: -184.874585
where:
bonds (distance) C4'-P energy: -38.923
bonds (distance) P-C4' energy: -37.844
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -45.036
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: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -575.305505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.305505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.305505 (E_RNA)
where:
Base-Base interactions energy: -390.443
where: short stacking energy: -153.972
Base-Backbone interact. energy: -1.016
local terms energy: -183.846957
where:
bonds (distance) C4'-P energy: -35.237
bonds (distance) P-C4' energy: -29.293
flat angles C4'-P-C4' energy: -43.548
flat angles P-C4'-P energy: -27.267
tors. eta vs tors. theta energy: -48.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -532.526457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.526457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.526457 (E_RNA)
where:
Base-Base interactions energy: -365.620
where: short stacking energy: -132.874
Base-Backbone interact. energy: -1.541
local terms energy: -165.365742
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -38.030
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -33.198
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: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -513.289059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.289059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.289059 (E_RNA)
where:
Base-Base interactions energy: -357.271
where: short stacking energy: -140.459
Base-Backbone interact. energy: -0.208
local terms energy: -155.810308
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -31.795
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -40.709
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: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -449.735229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.735229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.735229 (E_RNA)
where:
Base-Base interactions energy: -293.183
where: short stacking energy: -121.154
Base-Backbone interact. energy: -0.183
local terms energy: -156.369201
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -35.185
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -28.762
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: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -448.918924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.918924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.918924 (E_RNA)
where:
Base-Base interactions energy: -314.400
where: short stacking energy: -114.855
Base-Backbone interact. energy: -0.546
local terms energy: -133.972805
where:
bonds (distance) C4'-P energy: -33.236
bonds (distance) P-C4' energy: -29.652
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -23.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -293.233003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.233003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.233003 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -79.531
Base-Backbone interact. energy: -0.966
local terms energy: -136.687445
where:
bonds (distance) C4'-P energy: -36.494
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -32.910
flat angles P-C4'-P energy: -26.506
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.164 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -304.988406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.988406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.988406 (E_RNA)
where:
Base-Base interactions energy: -175.868
where: short stacking energy: -87.194
Base-Backbone interact. energy: 0.183
local terms energy: -129.302839
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -11.696
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: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -292.293645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.293645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.293645 (E_RNA)
where:
Base-Base interactions energy: -170.710
where: short stacking energy: -75.336
Base-Backbone interact. energy: -1.194
local terms energy: -120.389827
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -8.848
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: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -234.936819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.936819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.936819 (E_RNA)
where:
Base-Base interactions energy: -140.281
where: short stacking energy: -56.219
Base-Backbone interact. energy: -2.262
local terms energy: -92.393211
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -37.599
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -2.451
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -595.286939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.286939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.286939 (E_RNA)
where:
Base-Base interactions energy: -401.675
where: short stacking energy: -165.984
Base-Backbone interact. energy: -1.506
local terms energy: -192.105748
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -40.151
flat angles C4'-P-C4' energy: -40.685
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -51.676
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: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -579.456904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.456904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.456904 (E_RNA)
where:
Base-Base interactions energy: -403.011
where: short stacking energy: -149.427
Base-Backbone interact. energy: -1.498
local terms energy: -174.947658
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -40.805
flat angles C4'-P-C4' energy: -38.414
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -41.545
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: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -537.812679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.812679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.812679 (E_RNA)
where:
Base-Base interactions energy: -382.294
where: short stacking energy: -132.301
Base-Backbone interact. energy: 2.624
local terms energy: -158.142052
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -36.078
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -34.803
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: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -479.563888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.563888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.563888 (E_RNA)
where:
Base-Base interactions energy: -324.457
where: short stacking energy: -120.032
Base-Backbone interact. energy: -1.589
local terms energy: -153.518377
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -36.065
flat angles C4'-P-C4' energy: -37.551
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: -32.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -489.108645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.108645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.108645 (E_RNA)
where:
Base-Base interactions energy: -334.947
where: short stacking energy: -144.320
Base-Backbone interact. energy: -1.469
local terms energy: -152.692775
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -32.520
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -36.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -489.325303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.325303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.325303 (E_RNA)
where:
Base-Base interactions energy: -317.223
where: short stacking energy: -130.998
Base-Backbone interact. energy: -0.576
local terms energy: -171.525754
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -38.275
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -42.553
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: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -309.487192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.487192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.487192 (E_RNA)
where:
Base-Base interactions energy: -179.849
where: short stacking energy: -80.169
Base-Backbone interact. energy: -0.443
local terms energy: -129.195182
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -31.716
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -300.746102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.746102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.746102 (E_RNA)
where:
Base-Base interactions energy: -168.889
where: short stacking energy: -84.511
Base-Backbone interact. energy: -1.834
local terms energy: -130.022818
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -305.068741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.068741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.068741 (E_RNA)
where:
Base-Base interactions energy: -191.066
where: short stacking energy: -90.033
Base-Backbone interact. energy: 2.042
local terms energy: -116.043900
where:
bonds (distance) C4'-P energy: -29.021
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -203.607303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.607303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.607303 (E_RNA)
where:
Base-Base interactions energy: -106.294
where: short stacking energy: -55.537
Base-Backbone interact. energy: -1.770
local terms energy: -95.543379
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -2.806
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: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -620.027653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.027653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.027653 (E_RNA)
where:
Base-Base interactions energy: -430.232
where: short stacking energy: -154.752
Base-Backbone interact. energy: -2.556
local terms energy: -187.239663
where:
bonds (distance) C4'-P energy: -36.465
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -28.143
tors. eta vs tors. theta energy: -48.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -578.387356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.387356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.387356 (E_RNA)
where:
Base-Base interactions energy: -402.874
where: short stacking energy: -150.305
Base-Backbone interact. energy: -1.148
local terms energy: -174.364717
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -23.752
tors. eta vs tors. theta energy: -44.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -478.097310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.097310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.097310 (E_RNA)
where:
Base-Base interactions energy: -333.055
where: short stacking energy: -125.309
Base-Backbone interact. energy: -0.397
local terms energy: -144.645142
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -28.990
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: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -496.323231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.323231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.323231 (E_RNA)
where:
Base-Base interactions energy: -334.451
where: short stacking energy: -126.866
Base-Backbone interact. energy: -0.672
local terms energy: -161.199589
where:
bonds (distance) C4'-P energy: -36.656
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -35.613
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -36.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -474.099658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.099658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.099658 (E_RNA)
where:
Base-Base interactions energy: -320.044
where: short stacking energy: -140.480
Base-Backbone interact. energy: -0.622
local terms energy: -153.433370
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -30.831
flat angles C4'-P-C4' energy: -35.564
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -43.879
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: 422
Temperature: 1.150000
Total energy: -491.154467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.154467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.154467 (E_RNA)
where:
Base-Base interactions energy: -335.996
where: short stacking energy: -133.887
Base-Backbone interact. energy: -0.046
local terms energy: -155.112325
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -35.918
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -39.116
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: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -289.039959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.039959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.039959 (E_RNA)
where:
Base-Base interactions energy: -164.146
where: short stacking energy: -69.447
Base-Backbone interact. energy: -0.333
local terms energy: -124.560776
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -278.427886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.427886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.427886 (E_RNA)
where:
Base-Base interactions energy: -158.082
where: short stacking energy: -87.840
Base-Backbone interact. energy: -0.052
local terms energy: -121.237578
where:
bonds (distance) C4'-P energy: -34.867
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.944 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -293.698514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.698514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.698514 (E_RNA)
where:
Base-Base interactions energy: -169.766
where: short stacking energy: -82.469
Base-Backbone interact. energy: 1.709
local terms energy: -125.642202
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -210.561507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.561507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.561507 (E_RNA)
where:
Base-Base interactions energy: -104.343
where: short stacking energy: -62.081
Base-Backbone interact. energy: 0.637
local terms energy: -106.855859
where:
bonds (distance) C4'-P energy: -30.595
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -8.531
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: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -618.069023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.069023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.069023 (E_RNA)
where:
Base-Base interactions energy: -429.885
where: short stacking energy: -163.505
Base-Backbone interact. energy: -1.736
local terms energy: -186.448082
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -34.150
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: -47.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -578.188557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.188557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.188557 (E_RNA)
where:
Base-Base interactions energy: -413.893
where: short stacking energy: -152.136
Base-Backbone interact. energy: 0.822
local terms energy: -165.117288
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -33.837
flat angles C4'-P-C4' energy: -34.936
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -42.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -520.516190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.516190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.516190 (E_RNA)
where:
Base-Base interactions energy: -357.358
where: short stacking energy: -139.093
Base-Backbone interact. energy: -0.794
local terms energy: -162.364167
where:
bonds (distance) C4'-P energy: -36.670
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -29.894
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -41.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -472.681077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.681077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.681077 (E_RNA)
where:
Base-Base interactions energy: -308.663
where: short stacking energy: -121.901
Base-Backbone interact. energy: -0.385
local terms energy: -163.632459
where:
bonds (distance) C4'-P energy: -32.501
bonds (distance) P-C4' energy: -36.168
flat angles C4'-P-C4' energy: -37.329
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -35.669
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: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -509.997008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.997008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.997008 (E_RNA)
where:
Base-Base interactions energy: -353.674
where: short stacking energy: -137.704
Base-Backbone interact. energy: 0.509
local terms energy: -156.832863
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -40.507
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -30.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -495.897951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.897951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.897951 (E_RNA)
where:
Base-Base interactions energy: -330.611
where: short stacking energy: -138.177
Base-Backbone interact. energy: -0.463
local terms energy: -164.823994
where:
bonds (distance) C4'-P energy: -29.997
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -36.278
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -40.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -341.139030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.139030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.139030 (E_RNA)
where:
Base-Base interactions energy: -209.144
where: short stacking energy: -103.587
Base-Backbone interact. energy: -2.656
local terms energy: -129.339027
where:
bonds (distance) C4'-P energy: -34.686
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -15.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -264.144808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.144808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.144808 (E_RNA)
where:
Base-Base interactions energy: -134.860
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.497
local terms energy: -130.802218
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -23.736
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.014 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -285.314596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.314596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.314596 (E_RNA)
where:
Base-Base interactions energy: -162.996
where: short stacking energy: -85.369
Base-Backbone interact. energy: 4.530
local terms energy: -126.848683
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -21.382
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: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -186.534642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.534642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.534642 (E_RNA)
where:
Base-Base interactions energy: -81.139
where: short stacking energy: -53.458
Base-Backbone interact. energy: -0.725
local terms energy: -104.670661
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -33.499
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -598.751177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.751177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.751177 (E_RNA)
where:
Base-Base interactions energy: -417.008
where: short stacking energy: -169.099
Base-Backbone interact. energy: -1.004
local terms energy: -180.739213
where:
bonds (distance) C4'-P energy: -33.082
bonds (distance) P-C4' energy: -41.290
flat angles C4'-P-C4' energy: -35.431
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: -46.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -598.534321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.534321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.534321 (E_RNA)
where:
Base-Base interactions energy: -406.307
where: short stacking energy: -154.342
Base-Backbone interact. energy: -0.496
local terms energy: -191.731781
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -38.906
flat angles C4'-P-C4' energy: -41.690
flat angles P-C4'-P energy: -26.642
tors. eta vs tors. theta energy: -43.618
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: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -501.740593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.740593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.740593 (E_RNA)
where:
Base-Base interactions energy: -339.033
where: short stacking energy: -135.063
Base-Backbone interact. energy: 0.517
local terms energy: -163.224884
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -38.448
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -36.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -491.631650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.631650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.631650 (E_RNA)
where:
Base-Base interactions energy: -330.657
where: short stacking energy: -135.188
Base-Backbone interact. energy: -1.258
local terms energy: -159.716614
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -36.748
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -36.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -501.355866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.355866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.355866 (E_RNA)
where:
Base-Base interactions energy: -330.689
where: short stacking energy: -124.470
Base-Backbone interact. energy: -0.195
local terms energy: -170.471335
where:
bonds (distance) C4'-P energy: -35.079
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -39.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -485.082292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.082292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.082292 (E_RNA)
where:
Base-Base interactions energy: -347.009
where: short stacking energy: -122.980
Base-Backbone interact. energy: 1.589
local terms energy: -139.663253
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -34.954
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: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -355.181005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.181005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.181005 (E_RNA)
where:
Base-Base interactions energy: -210.613
where: short stacking energy: -102.155
Base-Backbone interact. energy: -3.403
local terms energy: -141.164746
where:
bonds (distance) C4'-P energy: -33.277
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -308.286315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.286315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.286315 (E_RNA)
where:
Base-Base interactions energy: -163.272
where: short stacking energy: -82.148
Base-Backbone interact. energy: -0.731
local terms energy: -144.283835
where:
bonds (distance) C4'-P energy: -36.125
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -302.555471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.555471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.555471 (E_RNA)
where:
Base-Base interactions energy: -186.842
where: short stacking energy: -83.648
Base-Backbone interact. energy: -1.318
local terms energy: -114.395528
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -32.016
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -13.182
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: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -158.032206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.032206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.032206 (E_RNA)
where:
Base-Base interactions energy: -52.741
where: short stacking energy: -45.927
Base-Backbone interact. energy: -0.205
local terms energy: -105.086110
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -33.208
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -579.932966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.932966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.932966 (E_RNA)
where:
Base-Base interactions energy: -403.340
where: short stacking energy: -156.672
Base-Backbone interact. energy: -0.714
local terms energy: -175.878492
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -39.802
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -24.388
tors. eta vs tors. theta energy: -42.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -579.200189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.200189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.200189 (E_RNA)
where:
Base-Base interactions energy: -399.696
where: short stacking energy: -162.781
Base-Backbone interact. energy: -1.016
local terms energy: -178.487819
where:
bonds (distance) C4'-P energy: -36.740
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -38.833
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -43.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -501.159164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.159164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.159164 (E_RNA)
where:
Base-Base interactions energy: -334.083
where: short stacking energy: -133.972
Base-Backbone interact. energy: -0.007
local terms energy: -167.068625
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -38.834
flat angles P-C4'-P energy: -28.151
tors. eta vs tors. theta energy: -29.752
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: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -485.310269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.310269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.310269 (E_RNA)
where:
Base-Base interactions energy: -328.648
where: short stacking energy: -126.531
Base-Backbone interact. energy: -0.103
local terms energy: -156.559229
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -37.704
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -35.321
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: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -507.649630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.649630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.649630 (E_RNA)
where:
Base-Base interactions energy: -343.053
where: short stacking energy: -130.479
Base-Backbone interact. energy: -0.394
local terms energy: -164.202479
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -41.314
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: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -497.226243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.226243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.226243 (E_RNA)
where:
Base-Base interactions energy: -336.592
where: short stacking energy: -127.236
Base-Backbone interact. energy: -1.345
local terms energy: -159.289331
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -39.712
flat angles C4'-P-C4' energy: -32.660
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -39.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -310.812340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.812340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.812340 (E_RNA)
where:
Base-Base interactions energy: -180.357
where: short stacking energy: -85.298
Base-Backbone interact. energy: -0.560
local terms energy: -129.894937
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -34.659
flat angles P-C4'-P energy: -16.389
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: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -330.643143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.643143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.643143 (E_RNA)
where:
Base-Base interactions energy: -213.829
where: short stacking energy: -104.797
Base-Backbone interact. energy: -0.476
local terms energy: -117.564577
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -32.489
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.227 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -273.007689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.007689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.007689 (E_RNA)
where:
Base-Base interactions energy: -163.198
where: short stacking energy: -53.616
Base-Backbone interact. energy: -0.556
local terms energy: -109.415549
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -29.668
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.162 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -160.708243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.708243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.708243 (E_RNA)
where:
Base-Base interactions energy: -65.496
where: short stacking energy: -49.381
Base-Backbone interact. energy: -0.731
local terms energy: -94.480821
where:
bonds (distance) C4'-P energy: -32.734
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -31.676
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: 5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -607.683010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.683010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.683010 (E_RNA)
where:
Base-Base interactions energy: -427.441
where: short stacking energy: -157.968
Base-Backbone interact. energy: -1.678
local terms energy: -178.564061
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -41.775
flat angles P-C4'-P energy: -32.276
tors. eta vs tors. theta energy: -41.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -591.344515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.344515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.344515 (E_RNA)
where:
Base-Base interactions energy: -405.281
where: short stacking energy: -159.044
Base-Backbone interact. energy: -0.874
local terms energy: -185.188915
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -37.614
flat angles C4'-P-C4' energy: -38.046
flat angles P-C4'-P energy: -32.242
tors. eta vs tors. theta energy: -46.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -513.097263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.097263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.097263 (E_RNA)
where:
Base-Base interactions energy: -340.403
where: short stacking energy: -148.268
Base-Backbone interact. energy: -0.216
local terms energy: -172.477991
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -37.616
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -42.256
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: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -482.809265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.809265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.809265 (E_RNA)
where:
Base-Base interactions energy: -318.798
where: short stacking energy: -127.418
Base-Backbone interact. energy: -2.015
local terms energy: -161.996336
where:
bonds (distance) C4'-P energy: -37.484
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -36.841
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: -32.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -507.841997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.841997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.841997 (E_RNA)
where:
Base-Base interactions energy: -336.065
where: short stacking energy: -142.501
Base-Backbone interact. energy: -0.483
local terms energy: -171.293860
where:
bonds (distance) C4'-P energy: -36.593
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -34.970
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -38.315
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: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -451.580345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.580345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.580345 (E_RNA)
where:
Base-Base interactions energy: -296.427
where: short stacking energy: -122.343
Base-Backbone interact. energy: -2.489
local terms energy: -152.664486
where:
bonds (distance) C4'-P energy: -35.368
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -32.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -351.568682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.568682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.568682 (E_RNA)
where:
Base-Base interactions energy: -206.337
where: short stacking energy: -107.951
Base-Backbone interact. energy: 1.617
local terms energy: -146.849150
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -32.398
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -28.738
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: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -332.404582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.404582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.404582 (E_RNA)
where:
Base-Base interactions energy: -198.109
where: short stacking energy: -79.657
Base-Backbone interact. energy: -0.792
local terms energy: -133.504182
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -37.208
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -17.524
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: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -248.810341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.810341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.810341 (E_RNA)
where:
Base-Base interactions energy: -129.350
where: short stacking energy: -76.190
Base-Backbone interact. energy: 0.178
local terms energy: -119.638772
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -167.499094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.499094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.499094 (E_RNA)
where:
Base-Base interactions energy: -70.565
where: short stacking energy: -59.122
Base-Backbone interact. energy: -1.023
local terms energy: -95.910793
where:
bonds (distance) C4'-P energy: -23.123
bonds (distance) P-C4' energy: -29.967
flat angles C4'-P-C4' energy: -30.392
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: 3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -596.785752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.785752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.785752 (E_RNA)
where:
Base-Base interactions energy: -427.819
where: short stacking energy: -165.659
Base-Backbone interact. energy: -1.129
local terms energy: -167.837569
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -37.136
flat angles C4'-P-C4' energy: -35.496
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: -41.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -532.344580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.344580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.344580 (E_RNA)
where:
Base-Base interactions energy: -352.117
where: short stacking energy: -146.899
Base-Backbone interact. energy: 1.108
local terms energy: -181.335814
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -42.071
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -41.613
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: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -575.557380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.557380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.557380 (E_RNA)
where:
Base-Base interactions energy: -401.170
where: short stacking energy: -147.670
Base-Backbone interact. energy: -1.416
local terms energy: -172.971534
where:
bonds (distance) C4'-P energy: -32.690
bonds (distance) P-C4' energy: -32.930
flat angles C4'-P-C4' energy: -36.431
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -43.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -481.352535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.352535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.352535 (E_RNA)
where:
Base-Base interactions energy: -334.705
where: short stacking energy: -147.047
Base-Backbone interact. energy: -1.221
local terms energy: -145.426673
where:
bonds (distance) C4'-P energy: -35.277
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -32.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -503.546813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.546813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.546813 (E_RNA)
where:
Base-Base interactions energy: -341.107
where: short stacking energy: -125.354
Base-Backbone interact. energy: -1.425
local terms energy: -161.309794
where:
bonds (distance) C4'-P energy: -29.761
bonds (distance) P-C4' energy: -34.985
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: -34.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.296 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -437.242182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.242182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.242182 (E_RNA)
where:
Base-Base interactions energy: -287.574
where: short stacking energy: -107.799
Base-Backbone interact. energy: -0.621
local terms energy: -149.047626
where:
bonds (distance) C4'-P energy: -35.325
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -31.480
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -28.587
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: 427
Temperature: 1.200000
Total energy: -320.073929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.073929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.073929 (E_RNA)
where:
Base-Base interactions energy: -187.329
where: short stacking energy: -87.237
Base-Backbone interact. energy: 2.820
local terms energy: -135.565008
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -33.485
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -340.916355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.916355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.916355 (E_RNA)
where:
Base-Base interactions energy: -218.001
where: short stacking energy: -93.967
Base-Backbone interact. energy: -0.012
local terms energy: -122.903331
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -26.371
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -21.365
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: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -239.435204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.435204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.435204 (E_RNA)
where:
Base-Base interactions energy: -128.262
where: short stacking energy: -69.930
Base-Backbone interact. energy: 1.199
local terms energy: -112.372224
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -161.073757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.073757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.073757 (E_RNA)
where:
Base-Base interactions energy: -56.108
where: short stacking energy: -45.248
Base-Backbone interact. energy: -1.443
local terms energy: -103.522417
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -27.771
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: 1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -609.961394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.961394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.961394 (E_RNA)
where:
Base-Base interactions energy: -425.434
where: short stacking energy: -161.459
Base-Backbone interact. energy: -1.700
local terms energy: -182.827271
where:
bonds (distance) C4'-P energy: -37.496
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -44.556
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -40.389
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: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -546.057939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.057939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.057939 (E_RNA)
where:
Base-Base interactions energy: -369.701
where: short stacking energy: -146.895
Base-Backbone interact. energy: -1.090
local terms energy: -175.267234
where:
bonds (distance) C4'-P energy: -35.074
bonds (distance) P-C4' energy: -46.095
flat angles C4'-P-C4' energy: -30.693
flat angles P-C4'-P energy: -30.628
tors. eta vs tors. theta energy: -32.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -572.583015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.583015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.583015 (E_RNA)
where:
Base-Base interactions energy: -404.800
where: short stacking energy: -151.767
Base-Backbone interact. energy: -1.124
local terms energy: -166.659302
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -38.505
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -40.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -476.501938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.501938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.501938 (E_RNA)
where:
Base-Base interactions energy: -321.129
where: short stacking energy: -142.251
Base-Backbone interact. energy: -0.085
local terms energy: -155.288108
where:
bonds (distance) C4'-P energy: -31.937
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -34.335
flat angles P-C4'-P energy: -26.620
tors. eta vs tors. theta energy: -30.029
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: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -455.491607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.491607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.491607 (E_RNA)
where:
Base-Base interactions energy: -300.403
where: short stacking energy: -124.406
Base-Backbone interact. energy: -3.119
local terms energy: -151.970067
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -40.842
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -27.750
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: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -497.111379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.111379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.111379 (E_RNA)
where:
Base-Base interactions energy: -337.066
where: short stacking energy: -133.848
Base-Backbone interact. energy: -2.177
local terms energy: -157.868205
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -39.116
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: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -330.857538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.857538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.857538 (E_RNA)
where:
Base-Base interactions energy: -196.429
where: short stacking energy: -86.554
Base-Backbone interact. energy: -0.519
local terms energy: -133.909605
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -14.424
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: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -318.924978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.924978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.924978 (E_RNA)
where:
Base-Base interactions energy: -189.438
where: short stacking energy: -92.943
Base-Backbone interact. energy: -1.316
local terms energy: -128.170774
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -34.174
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -239.531694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.531694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.531694 (E_RNA)
where:
Base-Base interactions energy: -135.650
where: short stacking energy: -56.819
Base-Backbone interact. energy: -1.127
local terms energy: -103.068915
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.314 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -171.673099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.673099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.673099 (E_RNA)
where:
Base-Base interactions energy: -75.165
where: short stacking energy: -45.311
Base-Backbone interact. energy: 1.620
local terms energy: -98.128461
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: 5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -611.230077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.230077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.230077 (E_RNA)
where:
Base-Base interactions energy: -422.504
where: short stacking energy: -159.338
Base-Backbone interact. energy: -1.227
local terms energy: -187.498809
where:
bonds (distance) C4'-P energy: -40.360
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -41.139
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -43.640
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: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -582.958518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.958518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.958518 (E_RNA)
where:
Base-Base interactions energy: -401.961
where: short stacking energy: -159.433
Base-Backbone interact. energy: 1.675
local terms energy: -182.672645
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -39.449
flat angles C4'-P-C4' energy: -42.871
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -42.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -508.724313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.724313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.724313 (E_RNA)
where:
Base-Base interactions energy: -341.109
where: short stacking energy: -134.433
Base-Backbone interact. energy: -2.142
local terms energy: -165.473426
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -39.335
flat angles C4'-P-C4' energy: -33.862
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -38.326
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: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -471.848798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.848798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.848798 (E_RNA)
where:
Base-Base interactions energy: -326.831
where: short stacking energy: -141.192
Base-Backbone interact. energy: -0.185
local terms energy: -144.832975
where:
bonds (distance) C4'-P energy: -34.611
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -32.942
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -30.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -461.785852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.785852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.785852 (E_RNA)
where:
Base-Base interactions energy: -317.200
where: short stacking energy: -117.508
Base-Backbone interact. energy: 1.505
local terms energy: -146.091050
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -37.186
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -21.188
tors. eta vs tors. theta energy: -29.687
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: 429
Temperature: 1.150000
Total energy: -472.328928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.328928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.328928 (E_RNA)
where:
Base-Base interactions energy: -326.516
where: short stacking energy: -119.417
Base-Backbone interact. energy: -0.553
local terms energy: -145.259990
where:
bonds (distance) C4'-P energy: -35.535
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -26.869
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: 429
Temperature: 1.200000
Total energy: -301.886084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.886084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.886084 (E_RNA)
where:
Base-Base interactions energy: -178.805
where: short stacking energy: -79.217
Base-Backbone interact. energy: -0.138
local terms energy: -122.942836
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -37.191
flat angles C4'-P-C4' energy: -30.944
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -256.201219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.201219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.201219 (E_RNA)
where:
Base-Base interactions energy: -126.559
where: short stacking energy: -71.927
Base-Backbone interact. energy: -0.381
local terms energy: -129.649972
where:
bonds (distance) C4'-P energy: -30.388
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.390 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -262.897673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.897673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.897673 (E_RNA)
where:
Base-Base interactions energy: -152.056
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.363
local terms energy: -110.787857
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.309 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -154.449452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.449452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.449452 (E_RNA)
where:
Base-Base interactions energy: -61.000
where: short stacking energy: -51.928
Base-Backbone interact. energy: -0.397
local terms energy: -93.052391
where:
bonds (distance) C4'-P energy: -32.455
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: 9.597
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: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -604.156723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.156723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.156723 (E_RNA)
where:
Base-Base interactions energy: -419.934
where: short stacking energy: -167.622
Base-Backbone interact. energy: -0.724
local terms energy: -183.498404
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -39.880
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -46.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -578.094013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.094013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.094013 (E_RNA)
where:
Base-Base interactions energy: -392.520
where: short stacking energy: -167.055
Base-Backbone interact. energy: -0.759
local terms energy: -184.815315
where:
bonds (distance) C4'-P energy: -38.888
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -31.685
flat angles P-C4'-P energy: -27.039
tors. eta vs tors. theta energy: -46.789
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: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -520.790551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.790551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.790551 (E_RNA)
where:
Base-Base interactions energy: -346.701
where: short stacking energy: -146.351
Base-Backbone interact. energy: -0.578
local terms energy: -173.511032
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -35.806
flat angles C4'-P-C4' energy: -32.949
flat angles P-C4'-P energy: -29.327
tors. eta vs tors. theta energy: -38.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -487.620574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.620574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.620574 (E_RNA)
where:
Base-Base interactions energy: -327.131
where: short stacking energy: -130.055
Base-Backbone interact. energy: 0.768
local terms energy: -161.257384
where:
bonds (distance) C4'-P energy: -37.854
bonds (distance) P-C4' energy: -31.094
flat angles C4'-P-C4' energy: -39.192
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -38.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -452.551746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.551746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.551746 (E_RNA)
where:
Base-Base interactions energy: -303.673
where: short stacking energy: -120.101
Base-Backbone interact. energy: 0.033
local terms energy: -148.912277
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -37.507
flat angles C4'-P-C4' energy: -32.923
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -24.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -435.213479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.213479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.213479 (E_RNA)
where:
Base-Base interactions energy: -292.298
where: short stacking energy: -119.758
Base-Backbone interact. energy: -0.892
local terms energy: -142.023049
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -34.569
flat angles C4'-P-C4' energy: -38.221
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -272.672073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.672073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.672073 (E_RNA)
where:
Base-Base interactions energy: -142.051
where: short stacking energy: -80.802
Base-Backbone interact. energy: -0.817
local terms energy: -129.804257
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -10.315
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: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -293.887375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.887375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.887375 (E_RNA)
where:
Base-Base interactions energy: -168.512
where: short stacking energy: -78.278
Base-Backbone interact. energy: -0.721
local terms energy: -124.654641
where:
bonds (distance) C4'-P energy: -27.049
bonds (distance) P-C4' energy: -41.470
flat angles C4'-P-C4' energy: -33.302
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -232.646536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.646536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.646536 (E_RNA)
where:
Base-Base interactions energy: -109.462
where: short stacking energy: -47.048
Base-Backbone interact. energy: -0.980
local terms energy: -122.521068
where:
bonds (distance) C4'-P energy: -37.962
bonds (distance) P-C4' energy: -38.741
flat angles C4'-P-C4' energy: -28.695
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: 6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.317 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -170.023786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.023786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.023786 (E_RNA)
where:
Base-Base interactions energy: -67.431
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.161
local terms energy: -102.432061
where:
bonds (distance) C4'-P energy: -27.234
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -604.536609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.536609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.536609 (E_RNA)
where:
Base-Base interactions energy: -436.826
where: short stacking energy: -157.926
Base-Backbone interact. energy: -2.575
local terms energy: -165.135367
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -34.399
flat angles C4'-P-C4' energy: -37.940
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -39.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -558.613604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.613604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.613604 (E_RNA)
where:
Base-Base interactions energy: -383.609
where: short stacking energy: -152.112
Base-Backbone interact. energy: -0.142
local terms energy: -174.977492
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -38.891
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -39.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.116 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -519.216925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.216925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.216925 (E_RNA)
where:
Base-Base interactions energy: -350.215
where: short stacking energy: -152.944
Base-Backbone interact. energy: 1.089
local terms energy: -170.091221
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: -40.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -478.776733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.776733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.776733 (E_RNA)
where:
Base-Base interactions energy: -332.233
where: short stacking energy: -136.299
Base-Backbone interact. energy: -1.409
local terms energy: -146.727943
where:
bonds (distance) C4'-P energy: -31.530
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -30.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.593 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -468.799147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.799147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.799147 (E_RNA)
where:
Base-Base interactions energy: -313.410
where: short stacking energy: -119.801
Base-Backbone interact. energy: -1.270
local terms energy: -154.119097
where:
bonds (distance) C4'-P energy: -36.355
bonds (distance) P-C4' energy: -35.596
flat angles C4'-P-C4' energy: -33.857
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -27.500
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: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -430.759104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.759104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.759104 (E_RNA)
where:
Base-Base interactions energy: -279.168
where: short stacking energy: -104.827
Base-Backbone interact. energy: -1.201
local terms energy: -151.034406
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -30.355
flat angles P-C4'-P energy: -24.139
tors. eta vs tors. theta energy: -27.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.644 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -251.798349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.798349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.798349 (E_RNA)
where:
Base-Base interactions energy: -130.281
where: short stacking energy: -73.683
Base-Backbone interact. energy: 2.157
local terms energy: -123.674069
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -285.911273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.911273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.911273 (E_RNA)
where:
Base-Base interactions energy: -165.095
where: short stacking energy: -81.172
Base-Backbone interact. energy: -0.842
local terms energy: -119.973973
where:
bonds (distance) C4'-P energy: -32.794
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -30.998
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -10.386
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: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -230.817399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.817399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.817399 (E_RNA)
where:
Base-Base interactions energy: -124.045
where: short stacking energy: -55.785
Base-Backbone interact. energy: -1.537
local terms energy: -105.235200
where:
bonds (distance) C4'-P energy: -25.048
bonds (distance) P-C4' energy: -32.994
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -2.908
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: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -173.213195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.213195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.213195 (E_RNA)
where:
Base-Base interactions energy: -85.697
where: short stacking energy: -51.555
Base-Backbone interact. energy: 1.233
local terms energy: -88.749602
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: 5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -611.132048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.132048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.132048 (E_RNA)
where:
Base-Base interactions energy: -420.938
where: short stacking energy: -172.733
Base-Backbone interact. energy: -1.530
local terms energy: -188.664153
where:
bonds (distance) C4'-P energy: -39.294
bonds (distance) P-C4' energy: -37.587
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -48.910
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -571.931452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.931452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.931452 (E_RNA)
where:
Base-Base interactions energy: -393.467
where: short stacking energy: -154.130
Base-Backbone interact. energy: -0.326
local terms energy: -178.138718
where:
bonds (distance) C4'-P energy: -32.620
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -37.521
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -44.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -531.257185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.257185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.257185 (E_RNA)
where:
Base-Base interactions energy: -371.594
where: short stacking energy: -145.309
Base-Backbone interact. energy: -1.222
local terms energy: -158.441539
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -36.661
flat angles P-C4'-P energy: -20.593
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: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -509.824907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.824907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.824907 (E_RNA)
where:
Base-Base interactions energy: -342.205
where: short stacking energy: -140.727
Base-Backbone interact. energy: -0.520
local terms energy: -167.099952
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: -31.980
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: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -466.195936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.195936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.195936 (E_RNA)
where:
Base-Base interactions energy: -317.405
where: short stacking energy: -126.319
Base-Backbone interact. energy: 1.456
local terms energy: -150.247136
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -38.426
flat angles C4'-P-C4' energy: -32.433
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -26.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -430.655140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.655140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.655140 (E_RNA)
where:
Base-Base interactions energy: -277.402
where: short stacking energy: -114.685
Base-Backbone interact. energy: -0.914
local terms energy: -152.828110
where:
bonds (distance) C4'-P energy: -37.433
bonds (distance) P-C4' energy: -31.075
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -27.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.489 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -306.367052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.367052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.367052 (E_RNA)
where:
Base-Base interactions energy: -171.555
where: short stacking energy: -83.674
Base-Backbone interact. energy: -0.721
local terms energy: -134.091653
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -252.376729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.376729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.376729 (E_RNA)
where:
Base-Base interactions energy: -129.593
where: short stacking energy: -67.164
Base-Backbone interact. energy: -0.116
local terms energy: -122.667508
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -31.670
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -6.859
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: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -225.703263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.703263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.703263 (E_RNA)
where:
Base-Base interactions energy: -127.022
where: short stacking energy: -59.204
Base-Backbone interact. energy: 1.349
local terms energy: -100.029935
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -28.146
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -154.579861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.579861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.579861 (E_RNA)
where:
Base-Base interactions energy: -65.263
where: short stacking energy: -48.701
Base-Backbone interact. energy: -0.632
local terms energy: -88.684110
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: 9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -580.322382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.322382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.322382 (E_RNA)
where:
Base-Base interactions energy: -410.095
where: short stacking energy: -158.839
Base-Backbone interact. energy: -0.967
local terms energy: -169.260017
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -43.273
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: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -574.788433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.788433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.788433 (E_RNA)
where:
Base-Base interactions energy: -402.868
where: short stacking energy: -160.914
Base-Backbone interact. energy: -0.445
local terms energy: -171.475495
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -37.025
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -47.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -534.742195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.742195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.742195 (E_RNA)
where:
Base-Base interactions energy: -350.422
where: short stacking energy: -138.124
Base-Backbone interact. energy: -0.963
local terms energy: -183.357151
where:
bonds (distance) C4'-P energy: -36.754
bonds (distance) P-C4' energy: -41.772
flat angles C4'-P-C4' energy: -37.040
flat angles P-C4'-P energy: -27.051
tors. eta vs tors. theta energy: -40.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -503.222665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.222665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.222665 (E_RNA)
where:
Base-Base interactions energy: -346.902
where: short stacking energy: -131.803
Base-Backbone interact. energy: 1.037
local terms energy: -157.357506
where:
bonds (distance) C4'-P energy: -30.888
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: -42.431
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: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -467.659696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.659696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.659696 (E_RNA)
where:
Base-Base interactions energy: -311.229
where: short stacking energy: -116.224
Base-Backbone interact. energy: 1.663
local terms energy: -158.093495
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -38.377
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -27.077
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: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -433.280395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.280395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.280395 (E_RNA)
where:
Base-Base interactions energy: -291.401
where: short stacking energy: -117.036
Base-Backbone interact. energy: -0.270
local terms energy: -141.608571
where:
bonds (distance) C4'-P energy: -32.960
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -28.009
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: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -299.936812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.936812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.936812 (E_RNA)
where:
Base-Base interactions energy: -174.197
where: short stacking energy: -71.773
Base-Backbone interact. energy: 0.496
local terms energy: -126.235579
where:
bonds (distance) C4'-P energy: -31.924
bonds (distance) P-C4' energy: -34.946
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -8.217
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: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -251.806551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.806551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.806551 (E_RNA)
where:
Base-Base interactions energy: -132.008
where: short stacking energy: -66.183
Base-Backbone interact. energy: 4.029
local terms energy: -123.826821
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -23.801
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: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -237.997548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.997548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.997548 (E_RNA)
where:
Base-Base interactions energy: -125.406
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.667
local terms energy: -111.924029
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -28.550
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -152.660862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.660862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.660862 (E_RNA)
where:
Base-Base interactions energy: -44.202
where: short stacking energy: -44.202
Base-Backbone interact. energy: -0.443
local terms energy: -108.016265
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -33.429
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: 6.178
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: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -605.002224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.002224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.002224 (E_RNA)
where:
Base-Base interactions energy: -417.435
where: short stacking energy: -171.229
Base-Backbone interact. energy: -0.715
local terms energy: -186.851671
where:
bonds (distance) C4'-P energy: -35.714
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -39.620
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -50.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -586.660845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.660845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.660845 (E_RNA)
where:
Base-Base interactions energy: -402.714
where: short stacking energy: -161.083
Base-Backbone interact. energy: -0.868
local terms energy: -183.078271
where:
bonds (distance) C4'-P energy: -36.648
bonds (distance) P-C4' energy: -37.215
flat angles C4'-P-C4' energy: -40.445
flat angles P-C4'-P energy: -27.093
tors. eta vs tors. theta energy: -41.678
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: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -518.126135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.126135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.126135 (E_RNA)
where:
Base-Base interactions energy: -349.231
where: short stacking energy: -143.625
Base-Backbone interact. energy: 1.671
local terms energy: -170.566126
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -41.055
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -26.118
tors. eta vs tors. theta energy: -38.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -524.372317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.372317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.372317 (E_RNA)
where:
Base-Base interactions energy: -361.776
where: short stacking energy: -146.173
Base-Backbone interact. energy: -1.299
local terms energy: -161.298032
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -37.542
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -29.167
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -482.218530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.218530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.218530 (E_RNA)
where:
Base-Base interactions energy: -335.585
where: short stacking energy: -125.945
Base-Backbone interact. energy: 0.354
local terms energy: -146.986744
where:
bonds (distance) C4'-P energy: -31.231
bonds (distance) P-C4' energy: -37.721
flat angles C4'-P-C4' energy: -31.045
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -25.683
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: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -432.712857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.712857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.712857 (E_RNA)
where:
Base-Base interactions energy: -285.775
where: short stacking energy: -117.750
Base-Backbone interact. energy: -0.866
local terms energy: -146.071845
where:
bonds (distance) C4'-P energy: -38.611
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -18.594
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: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -325.816918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.816918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.816918 (E_RNA)
where:
Base-Base interactions energy: -197.177
where: short stacking energy: -96.429
Base-Backbone interact. energy: 0.171
local terms energy: -128.811331
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -248.081112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.081112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.081112 (E_RNA)
where:
Base-Base interactions energy: -124.333
where: short stacking energy: -71.758
Base-Backbone interact. energy: -0.468
local terms energy: -123.280395
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -36.789
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -243.403844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.403844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.403844 (E_RNA)
where:
Base-Base interactions energy: -130.295
where: short stacking energy: -76.877
Base-Backbone interact. energy: 0.138
local terms energy: -113.246145
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -10.049
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: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -155.100121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.100121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.100121 (E_RNA)
where:
Base-Base interactions energy: -55.067
where: short stacking energy: -47.268
Base-Backbone interact. energy: 0.064
local terms energy: -100.097079
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -31.094
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -604.271898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.271898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.271898 (E_RNA)
where:
Base-Base interactions energy: -427.170
where: short stacking energy: -175.629
Base-Backbone interact. energy: -1.362
local terms energy: -175.891974
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -35.880
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -30.340
tors. eta vs tors. theta energy: -45.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.152 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -583.847814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.847814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.847814 (E_RNA)
where:
Base-Base interactions energy: -405.053
where: short stacking energy: -155.554
Base-Backbone interact. energy: -1.773
local terms energy: -177.022139
where:
bonds (distance) C4'-P energy: -36.928
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -39.536
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -46.240
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: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -520.926231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.926231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.926231 (E_RNA)
where:
Base-Base interactions energy: -349.286
where: short stacking energy: -144.076
Base-Backbone interact. energy: -0.137
local terms energy: -171.504115
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -36.639
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -37.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -511.301275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.301275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.301275 (E_RNA)
where:
Base-Base interactions energy: -357.036
where: short stacking energy: -146.105
Base-Backbone interact. energy: -0.857
local terms energy: -153.408592
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -32.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -466.190938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.190938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.190938 (E_RNA)
where:
Base-Base interactions energy: -333.159
where: short stacking energy: -127.937
Base-Backbone interact. energy: 0.315
local terms energy: -133.633820
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -30.276
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.287 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -443.309870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.309870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.309870 (E_RNA)
where:
Base-Base interactions energy: -297.051
where: short stacking energy: -127.853
Base-Backbone interact. energy: -1.182
local terms energy: -145.076671
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -30.797
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -35.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -328.031297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.031297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.031297 (E_RNA)
where:
Base-Base interactions energy: -199.711
where: short stacking energy: -87.526
Base-Backbone interact. energy: 1.023
local terms energy: -129.343199
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -34.354
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -240.204906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.204906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.204906 (E_RNA)
where:
Base-Base interactions energy: -123.866
where: short stacking energy: -63.401
Base-Backbone interact. energy: 1.557
local terms energy: -117.895061
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -39.090
flat angles C4'-P-C4' energy: -31.223
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -229.129019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.129019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.129019 (E_RNA)
where:
Base-Base interactions energy: -126.413
where: short stacking energy: -69.952
Base-Backbone interact. energy: -0.054
local terms energy: -102.661852
where:
bonds (distance) C4'-P energy: -37.343
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -27.903
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: 2.768
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: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -172.798664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.798664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.798664 (E_RNA)
where:
Base-Base interactions energy: -72.167
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.407
local terms energy: -100.225033
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -583.765706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.765706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.765706 (E_RNA)
where:
Base-Base interactions energy: -401.056
where: short stacking energy: -162.111
Base-Backbone interact. energy: -1.357
local terms energy: -181.353148
where:
bonds (distance) C4'-P energy: -39.576
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -25.301
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: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -599.779599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.779599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.779599 (E_RNA)
where:
Base-Base interactions energy: -422.955
where: short stacking energy: -171.322
Base-Backbone interact. energy: -1.514
local terms energy: -175.452564
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -34.388
flat angles C4'-P-C4' energy: -38.077
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: -44.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.142 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -516.429293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.429293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.429293 (E_RNA)
where:
Base-Base interactions energy: -352.920
where: short stacking energy: -143.531
Base-Backbone interact. energy: -1.084
local terms energy: -162.424819
where:
bonds (distance) C4'-P energy: -35.937
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -36.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -517.038958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.038958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.038958 (E_RNA)
where:
Base-Base interactions energy: -355.028
where: short stacking energy: -132.858
Base-Backbone interact. energy: -0.887
local terms energy: -161.123987
where:
bonds (distance) C4'-P energy: -34.805
bonds (distance) P-C4' energy: -38.461
flat angles C4'-P-C4' energy: -37.567
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -34.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -461.434636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.434636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.434636 (E_RNA)
where:
Base-Base interactions energy: -310.657
where: short stacking energy: -139.766
Base-Backbone interact. energy: -0.784
local terms energy: -149.994506
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -33.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.001 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -402.987523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.987523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.987523 (E_RNA)
where:
Base-Base interactions energy: -262.976
where: short stacking energy: -106.584
Base-Backbone interact. energy: -1.037
local terms energy: -138.974443
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -337.362978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.362978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.362978 (E_RNA)
where:
Base-Base interactions energy: -200.241
where: short stacking energy: -94.436
Base-Backbone interact. energy: -0.316
local terms energy: -136.806035
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -22.676
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: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -243.704636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.704636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.704636 (E_RNA)
where:
Base-Base interactions energy: -124.114
where: short stacking energy: -82.654
Base-Backbone interact. energy: 0.872
local terms energy: -120.461750
where:
bonds (distance) C4'-P energy: -32.219
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -245.569015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.569015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.569015 (E_RNA)
where:
Base-Base interactions energy: -128.520
where: short stacking energy: -57.356
Base-Backbone interact. energy: -1.252
local terms energy: -115.797121
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -6.916
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: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -160.602573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.602573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.602573 (E_RNA)
where:
Base-Base interactions energy: -56.591
where: short stacking energy: -43.450
Base-Backbone interact. energy: -2.531
local terms energy: -101.480932
where:
bonds (distance) C4'-P energy: -33.954
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: 4.527
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: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -582.679924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.679924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.679924 (E_RNA)
where:
Base-Base interactions energy: -403.902
where: short stacking energy: -166.028
Base-Backbone interact. energy: -0.375
local terms energy: -178.402586
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -37.249
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: -43.693
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: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -585.459253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.459253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.459253 (E_RNA)
where:
Base-Base interactions energy: -413.894
where: short stacking energy: -163.083
Base-Backbone interact. energy: -1.218
local terms energy: -170.346783
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -33.929
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -49.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -524.398816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.398816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.398816 (E_RNA)
where:
Base-Base interactions energy: -363.503
where: short stacking energy: -135.699
Base-Backbone interact. energy: 1.127
local terms energy: -162.022779
where:
bonds (distance) C4'-P energy: -27.520
bonds (distance) P-C4' energy: -35.394
flat angles C4'-P-C4' energy: -38.696
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -33.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -480.252910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.252910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.252910 (E_RNA)
where:
Base-Base interactions energy: -314.922
where: short stacking energy: -144.665
Base-Backbone interact. energy: -1.174
local terms energy: -164.156552
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -32.235
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -44.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -471.078760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.078760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.078760 (E_RNA)
where:
Base-Base interactions energy: -310.816
where: short stacking energy: -127.743
Base-Backbone interact. energy: -0.908
local terms energy: -159.355654
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -36.278
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -33.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -457.589010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.589010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.589010 (E_RNA)
where:
Base-Base interactions energy: -299.588
where: short stacking energy: -130.560
Base-Backbone interact. energy: -0.484
local terms energy: -157.517448
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -33.699
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -33.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -339.084320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.084320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.084320 (E_RNA)
where:
Base-Base interactions energy: -213.687
where: short stacking energy: -103.849
Base-Backbone interact. energy: -0.110
local terms energy: -125.286927
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -24.981
tors. eta vs tors. theta energy: -25.245
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: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -293.053646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.053646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.053646 (E_RNA)
where:
Base-Base interactions energy: -173.464
where: short stacking energy: -80.356
Base-Backbone interact. energy: -0.207
local terms energy: -119.382478
where:
bonds (distance) C4'-P energy: -30.411
bonds (distance) P-C4' energy: -31.543
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -10.562
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: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -237.420500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.420500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.420500 (E_RNA)
where:
Base-Base interactions energy: -101.625
where: short stacking energy: -53.084
Base-Backbone interact. energy: -2.521
local terms energy: -133.274399
where:
bonds (distance) C4'-P energy: -35.473
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -161.124683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.124683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.124683 (E_RNA)
where:
Base-Base interactions energy: -49.388
where: short stacking energy: -43.225
Base-Backbone interact. energy: -0.067
local terms energy: -111.670478
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -580.209933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.209933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.209933 (E_RNA)
where:
Base-Base interactions energy: -401.362
where: short stacking energy: -145.454
Base-Backbone interact. energy: -0.262
local terms energy: -178.585021
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -40.575
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -43.460
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: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -584.485904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.485904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.485904 (E_RNA)
where:
Base-Base interactions energy: -413.043
where: short stacking energy: -148.479
Base-Backbone interact. energy: -0.507
local terms energy: -170.935973
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -45.240
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: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -535.820244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.820244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.820244 (E_RNA)
where:
Base-Base interactions energy: -366.819
where: short stacking energy: -149.454
Base-Backbone interact. energy: -1.404
local terms energy: -167.597507
where:
bonds (distance) C4'-P energy: -35.521
bonds (distance) P-C4' energy: -35.209
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -39.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -488.851533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.851533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.851533 (E_RNA)
where:
Base-Base interactions energy: -316.312
where: short stacking energy: -138.037
Base-Backbone interact. energy: -1.391
local terms energy: -171.147894
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -37.752
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -38.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -471.990724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.990724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.990724 (E_RNA)
where:
Base-Base interactions energy: -304.275
where: short stacking energy: -136.563
Base-Backbone interact. energy: -0.400
local terms energy: -167.316378
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -38.876
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -38.903
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: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -460.245457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.245457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.245457 (E_RNA)
where:
Base-Base interactions energy: -311.134
where: short stacking energy: -118.746
Base-Backbone interact. energy: -0.009
local terms energy: -149.102635
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -28.560
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: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -327.699378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.699378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.699378 (E_RNA)
where:
Base-Base interactions energy: -187.571
where: short stacking energy: -95.895
Base-Backbone interact. energy: -1.334
local terms energy: -138.794533
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -39.896
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -18.181
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: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -302.411975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.411975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.411975 (E_RNA)
where:
Base-Base interactions energy: -160.966
where: short stacking energy: -81.329
Base-Backbone interact. energy: -0.441
local terms energy: -142.002143
where:
bonds (distance) C4'-P energy: -33.755
bonds (distance) P-C4' energy: -32.479
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.997 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -224.735839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.735839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.735839 (E_RNA)
where:
Base-Base interactions energy: -106.961
where: short stacking energy: -63.728
Base-Backbone interact. energy: -1.325
local terms energy: -116.450183
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -153.832386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.832386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.832386 (E_RNA)
where:
Base-Base interactions energy: -60.763
where: short stacking energy: -46.356
Base-Backbone interact. energy: -0.716
local terms energy: -92.353393
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -28.644
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: 9.229
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: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -576.951427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.951427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.951427 (E_RNA)
where:
Base-Base interactions energy: -399.019
where: short stacking energy: -168.751
Base-Backbone interact. energy: -0.810
local terms energy: -177.122193
where:
bonds (distance) C4'-P energy: -35.659
bonds (distance) P-C4' energy: -34.315
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -26.240
tors. eta vs tors. theta energy: -44.216
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: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -594.195239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.195239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.195239 (E_RNA)
where:
Base-Base interactions energy: -421.231
where: short stacking energy: -170.267
Base-Backbone interact. energy: -1.455
local terms energy: -171.964436
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -49.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.455 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -522.608746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.608746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.608746 (E_RNA)
where:
Base-Base interactions energy: -349.556
where: short stacking energy: -141.889
Base-Backbone interact. energy: 0.255
local terms energy: -173.308055
where:
bonds (distance) C4'-P energy: -37.637
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -37.960
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -36.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -457.606551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.606551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.606551 (E_RNA)
where:
Base-Base interactions energy: -290.965
where: short stacking energy: -123.082
Base-Backbone interact. energy: 0.290
local terms energy: -166.931867
where:
bonds (distance) C4'-P energy: -39.047
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -31.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -474.340031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.340031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.340031 (E_RNA)
where:
Base-Base interactions energy: -308.327
where: short stacking energy: -132.235
Base-Backbone interact. energy: -2.283
local terms energy: -163.730939
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -38.413
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -37.339
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: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -467.081299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.081299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.081299 (E_RNA)
where:
Base-Base interactions energy: -320.873
where: short stacking energy: -131.005
Base-Backbone interact. energy: 0.350
local terms energy: -146.558458
where:
bonds (distance) C4'-P energy: -32.902
bonds (distance) P-C4' energy: -35.283
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -26.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -305.477114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.477114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.477114 (E_RNA)
where:
Base-Base interactions energy: -184.509
where: short stacking energy: -87.015
Base-Backbone interact. energy: 0.301
local terms energy: -121.269934
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -285.743343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.743343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.743343 (E_RNA)
where:
Base-Base interactions energy: -154.540
where: short stacking energy: -72.908
Base-Backbone interact. energy: -0.567
local terms energy: -130.636928
where:
bonds (distance) C4'-P energy: -37.410
bonds (distance) P-C4' energy: -41.514
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -237.191082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.191082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.191082 (E_RNA)
where:
Base-Base interactions energy: -132.315
where: short stacking energy: -84.244
Base-Backbone interact. energy: 0.085
local terms energy: -104.961557
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -156.605098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.605098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.605098 (E_RNA)
where:
Base-Base interactions energy: -49.345
where: short stacking energy: -38.264
Base-Backbone interact. energy: -1.113
local terms energy: -106.146585
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: 5.846
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: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -584.193810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.193810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.193810 (E_RNA)
where:
Base-Base interactions energy: -415.857
where: short stacking energy: -165.672
Base-Backbone interact. energy: -1.930
local terms energy: -166.406290
where:
bonds (distance) C4'-P energy: -35.471
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -39.986
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -42.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -586.212290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.212290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.212290 (E_RNA)
where:
Base-Base interactions energy: -405.896
where: short stacking energy: -156.341
Base-Backbone interact. energy: -0.583
local terms energy: -180.189778
where:
bonds (distance) C4'-P energy: -34.775
bonds (distance) P-C4' energy: -40.372
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -49.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.457 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -507.809880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.809880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.809880 (E_RNA)
where:
Base-Base interactions energy: -346.833
where: short stacking energy: -142.201
Base-Backbone interact. energy: 0.515
local terms energy: -161.492416
where:
bonds (distance) C4'-P energy: -33.304
bonds (distance) P-C4' energy: -40.755
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -46.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -462.506299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.506299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.506299 (E_RNA)
where:
Base-Base interactions energy: -300.752
where: short stacking energy: -127.961
Base-Backbone interact. energy: -1.560
local terms energy: -160.193768
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -33.786
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: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -464.975350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.975350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.975350 (E_RNA)
where:
Base-Base interactions energy: -304.424
where: short stacking energy: -124.218
Base-Backbone interact. energy: -0.871
local terms energy: -160.299309
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -35.996
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -33.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.619 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -408.595009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.595009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.595009 (E_RNA)
where:
Base-Base interactions energy: -270.127
where: short stacking energy: -117.933
Base-Backbone interact. energy: -1.568
local terms energy: -136.899643
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -33.055
flat angles C4'-P-C4' energy: -42.236
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -22.894
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: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -341.462580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.462580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.462580 (E_RNA)
where:
Base-Base interactions energy: -201.252
where: short stacking energy: -102.130
Base-Backbone interact. energy: 1.391
local terms energy: -141.601991
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -36.305
flat angles C4'-P-C4' energy: -34.457
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -322.898871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.898871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.898871 (E_RNA)
where:
Base-Base interactions energy: -195.424
where: short stacking energy: -91.127
Base-Backbone interact. energy: -0.532
local terms energy: -126.942544
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -263.007493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.007493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.007493 (E_RNA)
where:
Base-Base interactions energy: -140.304
where: short stacking energy: -69.217
Base-Backbone interact. energy: -3.044
local terms energy: -119.659474
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -30.197
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -206.059717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.059717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.059717 (E_RNA)
where:
Base-Base interactions energy: -104.605
where: short stacking energy: -56.680
Base-Backbone interact. energy: -1.401
local terms energy: -100.476304
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -584.817002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.817002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.817002 (E_RNA)
where:
Base-Base interactions energy: -412.683
where: short stacking energy: -155.261
Base-Backbone interact. energy: -1.171
local terms energy: -170.963409
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -37.702
flat angles C4'-P-C4' energy: -36.102
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -42.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -587.149093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.149093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.149093 (E_RNA)
where:
Base-Base interactions energy: -407.557
where: short stacking energy: -155.141
Base-Backbone interact. energy: -2.522
local terms energy: -177.144688
where:
bonds (distance) C4'-P energy: -34.239
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -37.802
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -49.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.075 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -508.159470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.159470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.159470 (E_RNA)
where:
Base-Base interactions energy: -316.902
where: short stacking energy: -129.391
Base-Backbone interact. energy: -0.558
local terms energy: -190.700124
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -41.605
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -27.849
tors. eta vs tors. theta energy: -38.794
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: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -475.856987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.856987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.856987 (E_RNA)
where:
Base-Base interactions energy: -318.893
where: short stacking energy: -142.764
Base-Backbone interact. energy: 4.358
local terms energy: -161.322655
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -34.512
flat angles C4'-P-C4' energy: -35.769
flat angles P-C4'-P energy: -30.877
tors. eta vs tors. theta energy: -34.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -445.766851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.766851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.766851 (E_RNA)
where:
Base-Base interactions energy: -299.867
where: short stacking energy: -109.364
Base-Backbone interact. energy: -1.819
local terms energy: -144.080583
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -31.441
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: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -411.471274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.471274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.471274 (E_RNA)
where:
Base-Base interactions energy: -268.393
where: short stacking energy: -113.689
Base-Backbone interact. energy: -0.542
local terms energy: -142.536580
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -29.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -330.343874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.343874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.343874 (E_RNA)
where:
Base-Base interactions energy: -207.952
where: short stacking energy: -102.823
Base-Backbone interact. energy: -0.337
local terms energy: -124.073114
where:
bonds (distance) C4'-P energy: -24.674
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.018 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -300.615494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.615494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.615494 (E_RNA)
where:
Base-Base interactions energy: -177.267
where: short stacking energy: -88.216
Base-Backbone interact. energy: -0.534
local terms energy: -122.814921
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -36.097
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -16.426
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: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -247.145462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.145462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.145462 (E_RNA)
where:
Base-Base interactions energy: -126.931
where: short stacking energy: -72.667
Base-Backbone interact. energy: 0.950
local terms energy: -121.165062
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -40.639
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -221.997691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.997691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.997691 (E_RNA)
where:
Base-Base interactions energy: -103.314
where: short stacking energy: -51.557
Base-Backbone interact. energy: -1.307
local terms energy: -117.376211
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -35.640
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -4.666
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: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -594.869327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.869327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.869327 (E_RNA)
where:
Base-Base interactions energy: -425.013
where: short stacking energy: -167.553
Base-Backbone interact. energy: -0.692
local terms energy: -169.164445
where:
bonds (distance) C4'-P energy: -30.695
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -37.366
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -46.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -574.033858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.033858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.033858 (E_RNA)
where:
Base-Base interactions energy: -396.822
where: short stacking energy: -161.003
Base-Backbone interact. energy: -2.268
local terms energy: -174.943905
where:
bonds (distance) C4'-P energy: -31.765
bonds (distance) P-C4' energy: -37.538
flat angles C4'-P-C4' energy: -42.102
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -41.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -534.233802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.233802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.233802 (E_RNA)
where:
Base-Base interactions energy: -357.140
where: short stacking energy: -134.262
Base-Backbone interact. energy: -2.675
local terms energy: -174.418337
where:
bonds (distance) C4'-P energy: -35.637
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -38.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -472.630572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.630572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.630572 (E_RNA)
where:
Base-Base interactions energy: -319.872
where: short stacking energy: -149.623
Base-Backbone interact. energy: 1.107
local terms energy: -153.865912
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -39.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -445.345935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.345935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.345935 (E_RNA)
where:
Base-Base interactions energy: -285.594
where: short stacking energy: -136.895
Base-Backbone interact. energy: -0.525
local terms energy: -159.226180
where:
bonds (distance) C4'-P energy: -29.973
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -29.248
tors. eta vs tors. theta energy: -39.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -355.565493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.565493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.565493 (E_RNA)
where:
Base-Base interactions energy: -231.200
where: short stacking energy: -109.519
Base-Backbone interact. energy: -0.183
local terms energy: -124.182077
where:
bonds (distance) C4'-P energy: -30.131
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -13.827
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: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -332.052561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.052561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.052561 (E_RNA)
where:
Base-Base interactions energy: -217.998
where: short stacking energy: -94.601
Base-Backbone interact. energy: 0.136
local terms energy: -114.191173
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -34.699
flat angles C4'-P-C4' energy: -29.359
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -289.696670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.696670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.696670 (E_RNA)
where:
Base-Base interactions energy: -157.534
where: short stacking energy: -72.440
Base-Backbone interact. energy: -0.706
local terms energy: -131.456670
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -37.365
flat angles C4'-P-C4' energy: -25.001
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -14.384
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: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -232.908814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.908814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.908814 (E_RNA)
where:
Base-Base interactions energy: -115.292
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.898
local terms energy: -116.719614
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -220.560450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.560450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.560450 (E_RNA)
where:
Base-Base interactions energy: -104.641
where: short stacking energy: -57.576
Base-Backbone interact. energy: -0.230
local terms energy: -115.689474
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -34.728
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -3.541
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: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -602.880277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.880277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.880277 (E_RNA)
where:
Base-Base interactions energy: -423.356
where: short stacking energy: -164.013
Base-Backbone interact. energy: 1.452
local terms energy: -181.357833
where:
bonds (distance) C4'-P energy: -39.195
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -30.897
tors. eta vs tors. theta energy: -48.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.381 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -592.734748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.734748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.734748 (E_RNA)
where:
Base-Base interactions energy: -415.568
where: short stacking energy: -169.192
Base-Backbone interact. energy: -1.157
local terms energy: -176.009477
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -34.516
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -50.094
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: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -517.324578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.324578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.324578 (E_RNA)
where:
Base-Base interactions energy: -345.763
where: short stacking energy: -141.502
Base-Backbone interact. energy: -0.466
local terms energy: -171.094873
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -42.080
flat angles C4'-P-C4' energy: -35.179
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -34.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -463.482629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.482629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.482629 (E_RNA)
where:
Base-Base interactions energy: -297.012
where: short stacking energy: -121.299
Base-Backbone interact. energy: -0.499
local terms energy: -165.971360
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -27.390
tors. eta vs tors. theta energy: -29.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -460.036281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.036281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.036281 (E_RNA)
where:
Base-Base interactions energy: -314.588
where: short stacking energy: -138.645
Base-Backbone interact. energy: -1.309
local terms energy: -144.140080
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -28.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -328.200106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.200106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.200106 (E_RNA)
where:
Base-Base interactions energy: -197.150
where: short stacking energy: -85.918
Base-Backbone interact. energy: -0.992
local terms energy: -130.058454
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -31.626
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -23.779
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: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -362.077572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.077572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.077572 (E_RNA)
where:
Base-Base interactions energy: -219.603
where: short stacking energy: -117.906
Base-Backbone interact. energy: -0.752
local terms energy: -141.723105
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -28.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -306.950605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.950605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.950605 (E_RNA)
where:
Base-Base interactions energy: -178.298
where: short stacking energy: -78.114
Base-Backbone interact. energy: -1.187
local terms energy: -127.465579
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -19.759
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: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -238.526383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.526383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.526383 (E_RNA)
where:
Base-Base interactions energy: -115.933
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.491
local terms energy: -122.102287
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -36.567
flat angles C4'-P-C4' energy: -34.164
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -1.595
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: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -223.481299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.481299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.481299 (E_RNA)
where:
Base-Base interactions energy: -107.812
where: short stacking energy: -51.083
Base-Backbone interact. energy: -0.642
local terms energy: -115.026909
where:
bonds (distance) C4'-P energy: -32.441
bonds (distance) P-C4' energy: -31.436
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -13.153
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: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -593.195130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.195130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.195130 (E_RNA)
where:
Base-Base interactions energy: -433.225
where: short stacking energy: -158.811
Base-Backbone interact. energy: -2.079
local terms energy: -157.891822
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -38.912
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -40.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -583.219386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.219386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.219386 (E_RNA)
where:
Base-Base interactions energy: -417.580
where: short stacking energy: -151.084
Base-Backbone interact. energy: -1.129
local terms energy: -164.510961
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -34.610
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -24.606
tors. eta vs tors. theta energy: -45.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -525.583937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.583937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.583937 (E_RNA)
where:
Base-Base interactions energy: -353.230
where: short stacking energy: -144.979
Base-Backbone interact. energy: -2.034
local terms energy: -170.319386
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -38.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -471.834689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.834689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.834689 (E_RNA)
where:
Base-Base interactions energy: -301.769
where: short stacking energy: -126.427
Base-Backbone interact. energy: -1.541
local terms energy: -168.524625
where:
bonds (distance) C4'-P energy: -34.466
bonds (distance) P-C4' energy: -33.978
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -37.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -349.329218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.329218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.329218 (E_RNA)
where:
Base-Base interactions energy: -204.748
where: short stacking energy: -96.236
Base-Backbone interact. energy: 2.501
local terms energy: -147.082053
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -36.572
flat angles C4'-P-C4' energy: -38.044
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -449.187355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.187355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.187355 (E_RNA)
where:
Base-Base interactions energy: -288.960
where: short stacking energy: -126.256
Base-Backbone interact. energy: 1.030
local terms energy: -161.257089
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -38.436
flat angles P-C4'-P energy: -27.967
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -346.240099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.240099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.240099 (E_RNA)
where:
Base-Base interactions energy: -208.242
where: short stacking energy: -78.050
Base-Backbone interact. energy: -0.796
local terms energy: -137.202490
where:
bonds (distance) C4'-P energy: -38.726
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -15.273
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: 444
Temperature: 1.250000
Total energy: -300.891549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.891549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.891549 (E_RNA)
where:
Base-Base interactions energy: -172.651
where: short stacking energy: -78.145
Base-Backbone interact. energy: -0.747
local terms energy: -127.494307
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -221.540135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.540135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.540135 (E_RNA)
where:
Base-Base interactions energy: -101.269
where: short stacking energy: -49.907
Base-Backbone interact. energy: -0.939
local terms energy: -119.332304
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -37.950
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -230.159324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.159324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.159324 (E_RNA)
where:
Base-Base interactions energy: -114.694
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.537
local terms energy: -114.928308
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -39.579
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -592.575207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.575207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.575207 (E_RNA)
where:
Base-Base interactions energy: -421.779
where: short stacking energy: -163.641
Base-Backbone interact. energy: 1.511
local terms energy: -172.306982
where:
bonds (distance) C4'-P energy: -29.468
bonds (distance) P-C4' energy: -38.835
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -23.810
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: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -579.977115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.977115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.977115 (E_RNA)
where:
Base-Base interactions energy: -393.483
where: short stacking energy: -146.517
Base-Backbone interact. energy: -2.561
local terms energy: -183.933431
where:
bonds (distance) C4'-P energy: -35.823
bonds (distance) P-C4' energy: -41.978
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -38.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -527.555796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.555796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.555796 (E_RNA)
where:
Base-Base interactions energy: -366.085
where: short stacking energy: -147.187
Base-Backbone interact. energy: -0.436
local terms energy: -161.034581
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -36.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -481.018631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.018631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.018631 (E_RNA)
where:
Base-Base interactions energy: -317.412
where: short stacking energy: -137.528
Base-Backbone interact. energy: -0.811
local terms energy: -162.795966
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -31.995
flat angles C4'-P-C4' energy: -36.935
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -37.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -348.904903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.904903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.904903 (E_RNA)
where:
Base-Base interactions energy: -217.955
where: short stacking energy: -102.085
Base-Backbone interact. energy: -0.556
local terms energy: -130.394663
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -27.311
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -19.647
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: 445
Temperature: 1.150000
Total energy: -447.995856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.995856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.995856 (E_RNA)
where:
Base-Base interactions energy: -301.516
where: short stacking energy: -133.424
Base-Backbone interact. energy: -0.774
local terms energy: -146.194567
where:
bonds (distance) C4'-P energy: -32.389
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -33.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.489 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -342.107162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.107162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.107162 (E_RNA)
where:
Base-Base interactions energy: -215.943
where: short stacking energy: -79.981
Base-Backbone interact. energy: -0.868
local terms energy: -125.296176
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -39.668
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -299.111557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.111557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.111557 (E_RNA)
where:
Base-Base interactions energy: -167.596
where: short stacking energy: -72.568
Base-Backbone interact. energy: -1.204
local terms energy: -130.311585
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -24.844
tors. eta vs tors. theta energy: -9.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -222.059920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.059920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.059920 (E_RNA)
where:
Base-Base interactions energy: -130.434
where: short stacking energy: -88.202
Base-Backbone interact. energy: -1.171
local terms energy: -90.455313
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -3.629
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: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -234.829579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.829579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.829579 (E_RNA)
where:
Base-Base interactions energy: -113.150
where: short stacking energy: -62.479
Base-Backbone interact. energy: 2.555
local terms energy: -124.234296
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -37.536
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: -11.733
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: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -592.991306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.991306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.991306 (E_RNA)
where:
Base-Base interactions energy: -402.175
where: short stacking energy: -168.259
Base-Backbone interact. energy: -1.054
local terms energy: -189.761669
where:
bonds (distance) C4'-P energy: -40.022
bonds (distance) P-C4' energy: -37.523
flat angles C4'-P-C4' energy: -39.325
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -51.484
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: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -583.765773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.765773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.765773 (E_RNA)
where:
Base-Base interactions energy: -401.856
where: short stacking energy: -147.846
Base-Backbone interact. energy: -1.314
local terms energy: -180.596179
where:
bonds (distance) C4'-P energy: -34.753
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -37.804
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -45.678
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: 446
Temperature: 1.000000
Total energy: -542.611630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.611630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.611630 (E_RNA)
where:
Base-Base interactions energy: -368.935
where: short stacking energy: -143.931
Base-Backbone interact. energy: -0.308
local terms energy: -173.368658
where:
bonds (distance) C4'-P energy: -39.099
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -39.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -489.514133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.514133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.514133 (E_RNA)
where:
Base-Base interactions energy: -328.304
where: short stacking energy: -131.810
Base-Backbone interact. energy: -0.725
local terms energy: -160.485121
where:
bonds (distance) C4'-P energy: -30.230
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -35.845
flat angles P-C4'-P energy: -19.878
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: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -514.908884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.908884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.908884 (E_RNA)
where:
Base-Base interactions energy: -357.619
where: short stacking energy: -142.949
Base-Backbone interact. energy: -1.716
local terms energy: -155.573925
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -37.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -334.230113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.230113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.230113 (E_RNA)
where:
Base-Base interactions energy: -199.990
where: short stacking energy: -99.421
Base-Backbone interact. energy: -1.026
local terms energy: -133.214214
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -35.372
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -19.374
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: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -320.223676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.223676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.223676 (E_RNA)
where:
Base-Base interactions energy: -192.478
where: short stacking energy: -88.525
Base-Backbone interact. energy: -1.172
local terms energy: -126.574417
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -32.576
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -329.573313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.573313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.573313 (E_RNA)
where:
Base-Base interactions energy: -211.909
where: short stacking energy: -89.341
Base-Backbone interact. energy: 0.513
local terms energy: -118.177136
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -31.934
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -14.463
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: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -216.212227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.212227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.212227 (E_RNA)
where:
Base-Base interactions energy: -121.858
where: short stacking energy: -74.598
Base-Backbone interact. energy: -0.812
local terms energy: -94.290149
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.748 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -221.397282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.397282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.397282 (E_RNA)
where:
Base-Base interactions energy: -105.709
where: short stacking energy: -58.248
Base-Backbone interact. energy: 5.816
local terms energy: -121.503462
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -34.362
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: 0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -597.038590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.038590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.038590 (E_RNA)
where:
Base-Base interactions energy: -414.206
where: short stacking energy: -166.033
Base-Backbone interact. energy: -1.702
local terms energy: -182.469136
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -33.769
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -48.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.338 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -567.329962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.329962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.329962 (E_RNA)
where:
Base-Base interactions energy: -394.677
where: short stacking energy: -154.554
Base-Backbone interact. energy: -0.994
local terms energy: -171.658672
where:
bonds (distance) C4'-P energy: -38.429
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -43.337
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: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -562.746159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.746159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.746159 (E_RNA)
where:
Base-Base interactions energy: -391.398
where: short stacking energy: -154.657
Base-Backbone interact. energy: -0.780
local terms energy: -170.568610
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -33.492
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -40.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -503.667658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.667658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.667658 (E_RNA)
where:
Base-Base interactions energy: -342.070
where: short stacking energy: -147.447
Base-Backbone interact. energy: -1.569
local terms energy: -160.028203
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -30.394
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -40.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -476.332946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.332946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.332946 (E_RNA)
where:
Base-Base interactions energy: -314.662
where: short stacking energy: -125.757
Base-Backbone interact. energy: -1.819
local terms energy: -160.104866
where:
bonds (distance) C4'-P energy: -35.849
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -35.802
flat angles P-C4'-P energy: -27.079
tors. eta vs tors. theta energy: -37.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.253 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -329.291175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.291175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.291175 (E_RNA)
where:
Base-Base interactions energy: -187.491
where: short stacking energy: -92.959
Base-Backbone interact. energy: -1.633
local terms energy: -140.167605
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -39.597
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -324.680341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.680341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.680341 (E_RNA)
where:
Base-Base interactions energy: -180.009
where: short stacking energy: -89.260
Base-Backbone interact. energy: -0.997
local terms energy: -143.674026
where:
bonds (distance) C4'-P energy: -36.288
bonds (distance) P-C4' energy: -34.257
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -29.634
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -319.059845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.059845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.059845 (E_RNA)
where:
Base-Base interactions energy: -192.620
where: short stacking energy: -93.022
Base-Backbone interact. energy: 0.112
local terms energy: -127.212601
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.661 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -217.372510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.372510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.372510 (E_RNA)
where:
Base-Base interactions energy: -113.656
where: short stacking energy: -54.068
Base-Backbone interact. energy: 0.173
local terms energy: -103.888537
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -32.230
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -204.902745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.902745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.902745 (E_RNA)
where:
Base-Base interactions energy: -89.188
where: short stacking energy: -50.409
Base-Backbone interact. energy: -1.800
local terms energy: -113.915342
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -35.153
flat angles C4'-P-C4' energy: -29.564
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -595.345838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.345838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.345838 (E_RNA)
where:
Base-Base interactions energy: -410.935
where: short stacking energy: -168.099
Base-Backbone interact. energy: -1.320
local terms energy: -183.090033
where:
bonds (distance) C4'-P energy: -29.950
bonds (distance) P-C4' energy: -39.155
flat angles C4'-P-C4' energy: -39.629
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -45.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -566.104023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.104023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.104023 (E_RNA)
where:
Base-Base interactions energy: -384.849
where: short stacking energy: -158.975
Base-Backbone interact. energy: -0.430
local terms energy: -180.824979
where:
bonds (distance) C4'-P energy: -30.835
bonds (distance) P-C4' energy: -38.930
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -45.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -538.014750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.014750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.014750 (E_RNA)
where:
Base-Base interactions energy: -375.928
where: short stacking energy: -155.155
Base-Backbone interact. energy: 0.696
local terms energy: -162.782402
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -35.792
flat angles C4'-P-C4' energy: -40.994
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -40.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -517.473877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.473877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.473877 (E_RNA)
where:
Base-Base interactions energy: -341.629
where: short stacking energy: -146.683
Base-Backbone interact. energy: -1.586
local terms energy: -174.259113
where:
bonds (distance) C4'-P energy: -38.308
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -27.897
tors. eta vs tors. theta energy: -47.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -479.767490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.767490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.767490 (E_RNA)
where:
Base-Base interactions energy: -314.392
where: short stacking energy: -111.100
Base-Backbone interact. energy: -1.175
local terms energy: -164.200626
where:
bonds (distance) C4'-P energy: -31.544
bonds (distance) P-C4' energy: -37.911
flat angles C4'-P-C4' energy: -37.647
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -32.350
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: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -356.889362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.889362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.889362 (E_RNA)
where:
Base-Base interactions energy: -220.499
where: short stacking energy: -98.171
Base-Backbone interact. energy: 1.777
local terms energy: -138.167016
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -20.285
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: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -336.112721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.112721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.112721 (E_RNA)
where:
Base-Base interactions energy: -211.559
where: short stacking energy: -88.908
Base-Backbone interact. energy: -0.782
local terms energy: -123.771743
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -38.357
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -19.132
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: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -302.251327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.251327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.251327 (E_RNA)
where:
Base-Base interactions energy: -181.875
where: short stacking energy: -84.497
Base-Backbone interact. energy: 2.521
local terms energy: -125.448677
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.551 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -240.827517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.827517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.827517 (E_RNA)
where:
Base-Base interactions energy: -119.789
where: short stacking energy: -81.249
Base-Backbone interact. energy: -0.553
local terms energy: -120.485207
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -10.485
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: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -188.698738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.698738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.698738 (E_RNA)
where:
Base-Base interactions energy: -86.013
where: short stacking energy: -47.392
Base-Backbone interact. energy: 2.062
local terms energy: -104.747621
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -592.693910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.693910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.693910 (E_RNA)
where:
Base-Base interactions energy: -403.030
where: short stacking energy: -157.768
Base-Backbone interact. energy: -2.376
local terms energy: -187.288484
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -38.661
flat angles P-C4'-P energy: -30.601
tors. eta vs tors. theta energy: -48.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -573.061002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.061002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.061002 (E_RNA)
where:
Base-Base interactions energy: -395.518
where: short stacking energy: -152.311
Base-Backbone interact. energy: -0.856
local terms energy: -176.687598
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -39.192
flat angles P-C4'-P energy: -25.741
tors. eta vs tors. theta energy: -47.529
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: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -547.276415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.276415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.276415 (E_RNA)
where:
Base-Base interactions energy: -370.101
where: short stacking energy: -147.406
Base-Backbone interact. energy: 0.089
local terms energy: -177.263954
where:
bonds (distance) C4'-P energy: -34.650
bonds (distance) P-C4' energy: -29.224
flat angles C4'-P-C4' energy: -41.768
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -44.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -498.962436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.962436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.962436 (E_RNA)
where:
Base-Base interactions energy: -354.403
where: short stacking energy: -121.863
Base-Backbone interact. energy: -0.973
local terms energy: -143.585676
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -37.990
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: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -476.166335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.166335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.166335 (E_RNA)
where:
Base-Base interactions energy: -313.094
where: short stacking energy: -128.107
Base-Backbone interact. energy: -1.522
local terms energy: -161.550536
where:
bonds (distance) C4'-P energy: -32.780
bonds (distance) P-C4' energy: -34.493
flat angles C4'-P-C4' energy: -34.725
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -36.676
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: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -344.114480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.114480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.114480 (E_RNA)
where:
Base-Base interactions energy: -208.943
where: short stacking energy: -103.497
Base-Backbone interact. energy: -0.661
local terms energy: -134.510612
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -40.759
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -366.587165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.587165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.587165 (E_RNA)
where:
Base-Base interactions energy: -236.287
where: short stacking energy: -90.538
Base-Backbone interact. energy: -0.571
local terms energy: -129.729126
where:
bonds (distance) C4'-P energy: -26.326
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -21.623
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: 449
Temperature: 1.250000
Total energy: -309.421302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.421302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.421302 (E_RNA)
where:
Base-Base interactions energy: -191.253
where: short stacking energy: -95.910
Base-Backbone interact. energy: -0.426
local terms energy: -117.742341
where:
bonds (distance) C4'-P energy: -31.282
bonds (distance) P-C4' energy: -32.495
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -13.180
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: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -230.550471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.550471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.550471 (E_RNA)
where:
Base-Base interactions energy: -117.834
where: short stacking energy: -55.988
Base-Backbone interact. energy: -0.846
local terms energy: -111.869957
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -7.395
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: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -165.081104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.081104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.081104 (E_RNA)
where:
Base-Base interactions energy: -49.851
where: short stacking energy: -40.514
Base-Backbone interact. energy: 0.149
local terms energy: -115.378757
where:
bonds (distance) C4'-P energy: -36.365
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: 6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -598.507988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.507988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.507988 (E_RNA)
where:
Base-Base interactions energy: -413.386
where: short stacking energy: -165.101
Base-Backbone interact. energy: -0.155
local terms energy: -184.967484
where:
bonds (distance) C4'-P energy: -32.706
bonds (distance) P-C4' energy: -41.844
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -50.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -600.408193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.408193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.408193 (E_RNA)
where:
Base-Base interactions energy: -421.062
where: short stacking energy: -166.580
Base-Backbone interact. energy: -1.189
local terms energy: -178.157691
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -26.294
tors. eta vs tors. theta energy: -47.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -540.583187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.583187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.583187 (E_RNA)
where:
Base-Base interactions energy: -360.118
where: short stacking energy: -143.530
Base-Backbone interact. energy: -1.235
local terms energy: -179.230830
where:
bonds (distance) C4'-P energy: -34.624
bonds (distance) P-C4' energy: -35.957
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -31.972
tors. eta vs tors. theta energy: -43.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -529.038269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.038269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.038269 (E_RNA)
where:
Base-Base interactions energy: -366.102
where: short stacking energy: -145.017
Base-Backbone interact. energy: 0.624
local terms energy: -165.594061
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -37.400
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -38.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.034 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -463.407425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.407425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.407425 (E_RNA)
where:
Base-Base interactions energy: -303.183
where: short stacking energy: -137.348
Base-Backbone interact. energy: -0.922
local terms energy: -159.302694
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -36.663
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -43.274
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: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -355.095136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.095136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.095136 (E_RNA)
where:
Base-Base interactions energy: -211.939
where: short stacking energy: -103.603
Base-Backbone interact. energy: -0.405
local terms energy: -142.750681
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -36.960
flat angles C4'-P-C4' energy: -39.867
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -370.159469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.159469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.159469 (E_RNA)
where:
Base-Base interactions energy: -236.126
where: short stacking energy: -109.285
Base-Backbone interact. energy: 0.055
local terms energy: -134.087958
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -20.882
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: 450
Temperature: 1.250000
Total energy: -304.206492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.206492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.206492 (E_RNA)
where:
Base-Base interactions energy: -184.119
where: short stacking energy: -89.963
Base-Backbone interact. energy: -0.330
local terms energy: -119.757869
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -31.015
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -250.393061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.393061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.393061 (E_RNA)
where:
Base-Base interactions energy: -128.287
where: short stacking energy: -78.711
Base-Backbone interact. energy: -0.528
local terms energy: -121.618804
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -28.184
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -26.743
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: 0.040 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -174.245986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.245986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.245986 (E_RNA)
where:
Base-Base interactions energy: -90.156
where: short stacking energy: -43.314
Base-Backbone interact. energy: -1.797
local terms energy: -83.356455
where:
bonds (distance) C4'-P energy: -24.662
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: 5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.064 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -585.219212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.219212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.219212 (E_RNA)
where:
Base-Base interactions energy: -410.302
where: short stacking energy: -167.220
Base-Backbone interact. energy: -0.086
local terms energy: -174.831400
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -36.635
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -580.997535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.997535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.997535 (E_RNA)
where:
Base-Base interactions energy: -408.505
where: short stacking energy: -165.787
Base-Backbone interact. energy: -0.981
local terms energy: -171.511279
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -33.055
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -47.955
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: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -541.149089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.149089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.149089 (E_RNA)
where:
Base-Base interactions energy: -374.588
where: short stacking energy: -141.474
Base-Backbone interact. energy: -1.685
local terms energy: -164.875205
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -36.035
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -41.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -512.923062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.923062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.923062 (E_RNA)
where:
Base-Base interactions energy: -355.255
where: short stacking energy: -142.366
Base-Backbone interact. energy: -0.233
local terms energy: -157.434499
where:
bonds (distance) C4'-P energy: -34.697
bonds (distance) P-C4' energy: -33.165
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -31.651
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: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -460.302009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.302009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.302009 (E_RNA)
where:
Base-Base interactions energy: -302.774
where: short stacking energy: -126.928
Base-Backbone interact. energy: -0.558
local terms energy: -156.969557
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -33.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -361.194945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.194945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.194945 (E_RNA)
where:
Base-Base interactions energy: -218.427
where: short stacking energy: -101.551
Base-Backbone interact. energy: -0.913
local terms energy: -141.854138
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -33.701
flat angles C4'-P-C4' energy: -33.576
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -336.399487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.399487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.399487 (E_RNA)
where:
Base-Base interactions energy: -205.458
where: short stacking energy: -87.966
Base-Backbone interact. energy: 0.514
local terms energy: -131.455445
where:
bonds (distance) C4'-P energy: -36.614
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -302.215609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.215609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.215609 (E_RNA)
where:
Base-Base interactions energy: -175.783
where: short stacking energy: -86.600
Base-Backbone interact. energy: -1.479
local terms energy: -124.954485
where:
bonds (distance) C4'-P energy: -30.050
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -12.132
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: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -229.606130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.606130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.606130 (E_RNA)
where:
Base-Base interactions energy: -112.975
where: short stacking energy: -65.874
Base-Backbone interact. energy: -1.337
local terms energy: -115.397161
where:
bonds (distance) C4'-P energy: -33.659
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.103 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -216.090934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.090934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.090934 (E_RNA)
where:
Base-Base interactions energy: -103.494
where: short stacking energy: -62.120
Base-Backbone interact. energy: 1.932
local terms energy: -114.669106
where:
bonds (distance) C4'-P energy: -36.105
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.140 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -583.833378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.833378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.833378 (E_RNA)
where:
Base-Base interactions energy: -411.896
where: short stacking energy: -149.758
Base-Backbone interact. energy: -1.211
local terms energy: -170.979122
where:
bonds (distance) C4'-P energy: -37.438
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -39.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.253 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -569.902693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.902693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.902693 (E_RNA)
where:
Base-Base interactions energy: -396.565
where: short stacking energy: -156.406
Base-Backbone interact. energy: -0.544
local terms energy: -172.793440
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -35.858
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: -40.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -529.384909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.384909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.384909 (E_RNA)
where:
Base-Base interactions energy: -363.045
where: short stacking energy: -146.554
Base-Backbone interact. energy: -0.569
local terms energy: -165.770854
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -39.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -519.971300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.971300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.971300 (E_RNA)
where:
Base-Base interactions energy: -361.927
where: short stacking energy: -140.438
Base-Backbone interact. energy: -1.329
local terms energy: -156.715471
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -30.381
flat angles C4'-P-C4' energy: -41.974
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -34.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -473.436958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.436958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.436958 (E_RNA)
where:
Base-Base interactions energy: -315.238
where: short stacking energy: -137.338
Base-Backbone interact. energy: -0.439
local terms energy: -157.759611
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -39.607
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -39.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -351.542293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.542293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.542293 (E_RNA)
where:
Base-Base interactions energy: -216.310
where: short stacking energy: -98.387
Base-Backbone interact. energy: -0.687
local terms energy: -134.545444
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -36.055
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -24.505
tors. eta vs tors. theta energy: -18.895
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: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -335.541384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.541384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.541384 (E_RNA)
where:
Base-Base interactions energy: -197.903
where: short stacking energy: -80.677
Base-Backbone interact. energy: -1.189
local terms energy: -136.689186
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -37.482
flat angles C4'-P-C4' energy: -37.359
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -243.477574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.477574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.477574 (E_RNA)
where:
Base-Base interactions energy: -119.489
where: short stacking energy: -61.004
Base-Backbone interact. energy: 0.278
local terms energy: -124.266705
where:
bonds (distance) C4'-P energy: -32.602
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -33.864
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -234.928186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.928186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.928186 (E_RNA)
where:
Base-Base interactions energy: -96.993
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.303
local terms energy: -137.677335
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -38.320
flat angles C4'-P-C4' energy: -36.610
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.045 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -148.683339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.683339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.683339 (E_RNA)
where:
Base-Base interactions energy: -56.754
where: short stacking energy: -29.637
Base-Backbone interact. energy: 1.311
local terms energy: -93.303075
where:
bonds (distance) C4'-P energy: -26.567
bonds (distance) P-C4' energy: -34.778
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: 5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -589.904216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.904216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.904216 (E_RNA)
where:
Base-Base interactions energy: -416.098
where: short stacking energy: -170.277
Base-Backbone interact. energy: -0.783
local terms energy: -173.023409
where:
bonds (distance) C4'-P energy: -36.930
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -38.638
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -43.996
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: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -561.460199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.460199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.460199 (E_RNA)
where:
Base-Base interactions energy: -386.998
where: short stacking energy: -161.849
Base-Backbone interact. energy: -0.538
local terms energy: -173.945033
where:
bonds (distance) C4'-P energy: -34.275
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -28.786
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.021 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -534.408087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.408087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.408087 (E_RNA)
where:
Base-Base interactions energy: -359.975
where: short stacking energy: -151.758
Base-Backbone interact. energy: -3.009
local terms energy: -171.423736
where:
bonds (distance) C4'-P energy: -38.152
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: -47.485
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: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -520.791683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.791683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.791683 (E_RNA)
where:
Base-Base interactions energy: -359.262
where: short stacking energy: -131.561
Base-Backbone interact. energy: -0.954
local terms energy: -160.575344
where:
bonds (distance) C4'-P energy: -36.886
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -34.641
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -32.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -454.612392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.612392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.612392 (E_RNA)
where:
Base-Base interactions energy: -291.584
where: short stacking energy: -109.242
Base-Backbone interact. energy: 0.013
local terms energy: -163.041281
where:
bonds (distance) C4'-P energy: -33.543
bonds (distance) P-C4' energy: -34.914
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -33.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -367.643007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.643007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.643007 (E_RNA)
where:
Base-Base interactions energy: -238.463
where: short stacking energy: -116.970
Base-Backbone interact. energy: -0.469
local terms energy: -128.711346
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -32.607
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -357.075214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.075214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.075214 (E_RNA)
where:
Base-Base interactions energy: -226.019
where: short stacking energy: -96.829
Base-Backbone interact. energy: -1.701
local terms energy: -129.355411
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -30.880
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -266.955846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.955846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.955846 (E_RNA)
where:
Base-Base interactions energy: -149.708
where: short stacking energy: -57.895
Base-Backbone interact. energy: -0.711
local terms energy: -116.537428
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -36.038
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -6.163
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: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -248.458644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.458644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.458644 (E_RNA)
where:
Base-Base interactions energy: -128.267
where: short stacking energy: -58.911
Base-Backbone interact. energy: 0.011
local terms energy: -120.202001
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -2.160
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: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -150.446215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.446215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.446215 (E_RNA)
where:
Base-Base interactions energy: -73.059
where: short stacking energy: -68.274
Base-Backbone interact. energy: 0.841
local terms energy: -78.227773
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: 3.323
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: 454
Temperature: 0.900000
Total energy: -588.353475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.353475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.353475 (E_RNA)
where:
Base-Base interactions energy: -404.153
where: short stacking energy: -167.212
Base-Backbone interact. energy: -0.634
local terms energy: -183.566610
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -39.332
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: -45.711
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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -575.081863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.081863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.081863 (E_RNA)
where:
Base-Base interactions energy: -400.409
where: short stacking energy: -148.318
Base-Backbone interact. energy: -1.184
local terms energy: -173.488804
where:
bonds (distance) C4'-P energy: -37.638
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -28.902
flat angles P-C4'-P energy: -27.940
tors. eta vs tors. theta energy: -42.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -520.619844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.619844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.619844 (E_RNA)
where:
Base-Base interactions energy: -353.271
where: short stacking energy: -140.814
Base-Backbone interact. energy: 0.786
local terms energy: -168.134673
where:
bonds (distance) C4'-P energy: -33.890
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -40.597
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -38.689
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: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -521.959936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.959936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.959936 (E_RNA)
where:
Base-Base interactions energy: -357.654
where: short stacking energy: -142.911
Base-Backbone interact. energy: -0.723
local terms energy: -163.582765
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -36.783
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: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -459.198686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.198686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.198686 (E_RNA)
where:
Base-Base interactions energy: -301.137
where: short stacking energy: -127.709
Base-Backbone interact. energy: -1.765
local terms energy: -156.296991
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -40.143
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -33.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -357.909050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.909050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.909050 (E_RNA)
where:
Base-Base interactions energy: -221.539
where: short stacking energy: -106.573
Base-Backbone interact. energy: -0.667
local terms energy: -135.703277
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -28.173
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: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -318.626483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.626483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.626483 (E_RNA)
where:
Base-Base interactions energy: -201.119
where: short stacking energy: -89.037
Base-Backbone interact. energy: -1.232
local terms energy: -116.275364
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -16.448
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: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -248.931208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.931208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.931208 (E_RNA)
where:
Base-Base interactions energy: -121.316
where: short stacking energy: -64.479
Base-Backbone interact. energy: 1.773
local terms energy: -129.387870
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -40.579
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -166.153999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.153999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.153999 (E_RNA)
where:
Base-Base interactions energy: -65.898
where: short stacking energy: -53.728
Base-Backbone interact. energy: 1.112
local terms energy: -101.368249
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: 1.592
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: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -212.307563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.307563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.307563 (E_RNA)
where:
Base-Base interactions energy: -98.661
where: short stacking energy: -50.838
Base-Backbone interact. energy: -1.927
local terms energy: -111.719246
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -41.355
flat angles C4'-P-C4' energy: -31.757
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -1.639
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: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -592.532383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.532383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.532383 (E_RNA)
where:
Base-Base interactions energy: -399.291
where: short stacking energy: -166.079
Base-Backbone interact. energy: -1.097
local terms energy: -192.144590
where:
bonds (distance) C4'-P energy: -34.616
bonds (distance) P-C4' energy: -32.936
flat angles C4'-P-C4' energy: -42.394
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: -51.624
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: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -576.536647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.536647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.536647 (E_RNA)
where:
Base-Base interactions energy: -394.814
where: short stacking energy: -151.334
Base-Backbone interact. energy: -1.583
local terms energy: -180.139288
where:
bonds (distance) C4'-P energy: -27.484
bonds (distance) P-C4' energy: -38.502
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -43.664
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: 455
Temperature: 1.000000
Total energy: -547.665701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.665701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.665701 (E_RNA)
where:
Base-Base interactions energy: -366.170
where: short stacking energy: -140.624
Base-Backbone interact. energy: -1.332
local terms energy: -180.163316
where:
bonds (distance) C4'-P energy: -37.553
bonds (distance) P-C4' energy: -35.095
flat angles C4'-P-C4' energy: -37.806
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -40.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -493.159752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.159752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.159752 (E_RNA)
where:
Base-Base interactions energy: -324.473
where: short stacking energy: -127.592
Base-Backbone interact. energy: -0.106
local terms energy: -168.580548
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -27.104
tors. eta vs tors. theta energy: -35.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -471.038237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.038237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.038237 (E_RNA)
where:
Base-Base interactions energy: -308.295
where: short stacking energy: -131.278
Base-Backbone interact. energy: -1.471
local terms energy: -161.272599
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -34.612
flat angles C4'-P-C4' energy: -31.275
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -31.441
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: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -349.024768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.024768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.024768 (E_RNA)
where:
Base-Base interactions energy: -220.823
where: short stacking energy: -103.641
Base-Backbone interact. energy: -1.777
local terms energy: -127.344901
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.920 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -340.226092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.226092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.226092 (E_RNA)
where:
Base-Base interactions energy: -220.708
where: short stacking energy: -98.111
Base-Backbone interact. energy: -1.195
local terms energy: -118.322680
where:
bonds (distance) C4'-P energy: -29.559
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -19.300
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: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -253.899649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.899649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.899649 (E_RNA)
where:
Base-Base interactions energy: -147.082
where: short stacking energy: -52.067
Base-Backbone interact. energy: -1.241
local terms energy: -105.576243
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: 3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -160.003506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.003506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.003506 (E_RNA)
where:
Base-Base interactions energy: -58.400
where: short stacking energy: -39.351
Base-Backbone interact. energy: 3.494
local terms energy: -105.097621
where:
bonds (distance) C4'-P energy: -34.061
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: 9.899
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: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -207.041828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.041828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.041828 (E_RNA)
where:
Base-Base interactions energy: -100.037
where: short stacking energy: -67.876
Base-Backbone interact. energy: -0.253
local terms energy: -108.374245
where:
bonds (distance) C4'-P energy: -28.801
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.622 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -587.158752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.158752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.158752 (E_RNA)
where:
Base-Base interactions energy: -401.833
where: short stacking energy: -155.774
Base-Backbone interact. energy: -2.359
local terms energy: -182.967172
where:
bonds (distance) C4'-P energy: -39.197
bonds (distance) P-C4' energy: -34.481
flat angles C4'-P-C4' energy: -38.294
flat angles P-C4'-P energy: -29.939
tors. eta vs tors. theta energy: -41.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -565.868287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.868287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.868287 (E_RNA)
where:
Base-Base interactions energy: -393.904
where: short stacking energy: -143.983
Base-Backbone interact. energy: 1.600
local terms energy: -173.563768
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -33.000
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -45.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -553.189618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.189618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.189618 (E_RNA)
where:
Base-Base interactions energy: -385.290
where: short stacking energy: -145.460
Base-Backbone interact. energy: -1.183
local terms energy: -166.716967
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -41.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -490.897656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.897656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.897656 (E_RNA)
where:
Base-Base interactions energy: -324.108
where: short stacking energy: -121.886
Base-Backbone interact. energy: -2.546
local terms energy: -164.243672
where:
bonds (distance) C4'-P energy: -36.661
bonds (distance) P-C4' energy: -38.426
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -31.972
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: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -483.192709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.192709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.192709 (E_RNA)
where:
Base-Base interactions energy: -324.421
where: short stacking energy: -125.743
Base-Backbone interact. energy: -2.596
local terms energy: -156.175473
where:
bonds (distance) C4'-P energy: -34.736
bonds (distance) P-C4' energy: -33.973
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -31.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -342.978409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.978409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.978409 (E_RNA)
where:
Base-Base interactions energy: -215.763
where: short stacking energy: -92.294
Base-Backbone interact. energy: -1.172
local terms energy: -126.043425
where:
bonds (distance) C4'-P energy: -36.481
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -18.412
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: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -381.441467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.441467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.441467 (E_RNA)
where:
Base-Base interactions energy: -238.038
where: short stacking energy: -97.637
Base-Backbone interact. energy: -0.327
local terms energy: -143.076281
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -40.224
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -267.077077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.077077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.077077 (E_RNA)
where:
Base-Base interactions energy: -152.482
where: short stacking energy: -62.891
Base-Backbone interact. energy: -0.011
local terms energy: -114.583893
where:
bonds (distance) C4'-P energy: -34.958
bonds (distance) P-C4' energy: -29.553
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -177.558396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.558396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.558396 (E_RNA)
where:
Base-Base interactions energy: -68.609
where: short stacking energy: -46.615
Base-Backbone interact. energy: -1.377
local terms energy: -107.572141
where:
bonds (distance) C4'-P energy: -33.959
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -166.605006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.605006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.605006 (E_RNA)
where:
Base-Base interactions energy: -63.419
where: short stacking energy: -41.248
Base-Backbone interact. energy: -0.227
local terms energy: -102.959252
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: 11.316
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: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -589.116780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.116780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.116780 (E_RNA)
where:
Base-Base interactions energy: -411.200
where: short stacking energy: -154.755
Base-Backbone interact. energy: -0.529
local terms energy: -177.387761
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -41.059
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -42.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -564.185067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.185067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.185067 (E_RNA)
where:
Base-Base interactions energy: -387.342
where: short stacking energy: -142.441
Base-Backbone interact. energy: -0.284
local terms energy: -176.559008
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -43.013
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -44.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -539.081088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.081088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.081088 (E_RNA)
where:
Base-Base interactions energy: -379.764
where: short stacking energy: -147.194
Base-Backbone interact. energy: -0.881
local terms energy: -158.435604
where:
bonds (distance) C4'-P energy: -27.702
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -28.562
tors. eta vs tors. theta energy: -34.366
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: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -473.939030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.939030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.939030 (E_RNA)
where:
Base-Base interactions energy: -314.867
where: short stacking energy: -123.853
Base-Backbone interact. energy: -1.697
local terms energy: -157.374899
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -40.761
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -28.948
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: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -504.386696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.386696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.386696 (E_RNA)
where:
Base-Base interactions energy: -337.776
where: short stacking energy: -130.304
Base-Backbone interact. energy: -0.636
local terms energy: -165.974689
where:
bonds (distance) C4'-P energy: -38.073
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -37.794
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -397.065912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.065912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.065912 (E_RNA)
where:
Base-Base interactions energy: -247.374
where: short stacking energy: -104.181
Base-Backbone interact. energy: -0.690
local terms energy: -149.002276
where:
bonds (distance) C4'-P energy: -32.588
bonds (distance) P-C4' energy: -30.259
flat angles C4'-P-C4' energy: -33.862
flat angles P-C4'-P energy: -29.254
tors. eta vs tors. theta energy: -23.039
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: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -302.489688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.489688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.489688 (E_RNA)
where:
Base-Base interactions energy: -160.156
where: short stacking energy: -78.058
Base-Backbone interact. energy: 1.126
local terms energy: -143.599586
where:
bonds (distance) C4'-P energy: -32.633
bonds (distance) P-C4' energy: -33.842
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.139 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -280.547655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.547655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.547655 (E_RNA)
where:
Base-Base interactions energy: -166.923
where: short stacking energy: -88.913
Base-Backbone interact. energy: -0.911
local terms energy: -112.712844
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -165.181173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.181173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.181173 (E_RNA)
where:
Base-Base interactions energy: -71.278
where: short stacking energy: -50.208
Base-Backbone interact. energy: 1.014
local terms energy: -94.917667
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -37.588
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: 6.740
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: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -172.842335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.842335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.842335 (E_RNA)
where:
Base-Base interactions energy: -59.541
where: short stacking energy: -47.136
Base-Backbone interact. energy: 2.563
local terms energy: -116.166577
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -36.900
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.302 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -603.018482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.018482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.018482 (E_RNA)
where:
Base-Base interactions energy: -429.373
where: short stacking energy: -166.156
Base-Backbone interact. energy: -1.252
local terms energy: -172.393378
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -38.988
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -44.078
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: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -571.759363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.759363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.759363 (E_RNA)
where:
Base-Base interactions energy: -398.877
where: short stacking energy: -156.981
Base-Backbone interact. energy: 1.294
local terms energy: -174.176256
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -35.167
flat angles P-C4'-P energy: -29.139
tors. eta vs tors. theta energy: -49.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -530.861482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.861482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.861482 (E_RNA)
where:
Base-Base interactions energy: -369.311
where: short stacking energy: -138.762
Base-Backbone interact. energy: -1.032
local terms energy: -160.519161
where:
bonds (distance) C4'-P energy: -42.155
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -28.520
tors. eta vs tors. theta energy: -29.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -487.992884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.992884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.992884 (E_RNA)
where:
Base-Base interactions energy: -325.619
where: short stacking energy: -135.409
Base-Backbone interact. energy: 0.252
local terms energy: -162.625773
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -39.083
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -27.604
tors. eta vs tors. theta energy: -34.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -503.176629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.176629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.176629 (E_RNA)
where:
Base-Base interactions energy: -330.963
where: short stacking energy: -135.327
Base-Backbone interact. energy: -0.648
local terms energy: -171.565765
where:
bonds (distance) C4'-P energy: -36.640
bonds (distance) P-C4' energy: -31.950
flat angles C4'-P-C4' energy: -34.940
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: -39.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -339.247502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.247502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.247502 (E_RNA)
where:
Base-Base interactions energy: -199.429
where: short stacking energy: -98.858
Base-Backbone interact. energy: -0.575
local terms energy: -139.243020
where:
bonds (distance) C4'-P energy: -34.512
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -20.120
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: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -306.284785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.284785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.284785 (E_RNA)
where:
Base-Base interactions energy: -175.376
where: short stacking energy: -91.125
Base-Backbone interact. energy: -0.900
local terms energy: -130.009131
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -28.655
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -296.370395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.370395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.370395 (E_RNA)
where:
Base-Base interactions energy: -171.459
where: short stacking energy: -77.064
Base-Backbone interact. energy: -0.667
local terms energy: -124.244641
where:
bonds (distance) C4'-P energy: -31.245
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -34.523
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -25.317
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: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -183.827536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.827536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.827536 (E_RNA)
where:
Base-Base interactions energy: -64.236
where: short stacking energy: -53.319
Base-Backbone interact. energy: -0.192
local terms energy: -119.400080
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -37.177
flat angles C4'-P-C4' energy: -28.617
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -8.662
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: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -149.779734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.779734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.779734 (E_RNA)
where:
Base-Base interactions energy: -43.539
where: short stacking energy: -37.974
Base-Backbone interact. energy: 1.085
local terms energy: -107.325993
where:
bonds (distance) C4'-P energy: -32.489
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: 2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -599.267540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.267540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.267540 (E_RNA)
where:
Base-Base interactions energy: -412.311
where: short stacking energy: -156.615
Base-Backbone interact. energy: -1.360
local terms energy: -185.995980
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -40.542
flat angles P-C4'-P energy: -28.041
tors. eta vs tors. theta energy: -43.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.400 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -555.690102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.690102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.690102 (E_RNA)
where:
Base-Base interactions energy: -378.431
where: short stacking energy: -153.259
Base-Backbone interact. energy: -0.673
local terms energy: -176.585311
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -38.944
flat angles P-C4'-P energy: -30.678
tors. eta vs tors. theta energy: -39.189
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: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -542.997294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.997294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.997294 (E_RNA)
where:
Base-Base interactions energy: -380.092
where: short stacking energy: -147.992
Base-Backbone interact. energy: 1.626
local terms energy: -164.531517
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -27.419
tors. eta vs tors. theta energy: -39.058
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: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -505.591271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.591271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.591271 (E_RNA)
where:
Base-Base interactions energy: -338.166
where: short stacking energy: -137.482
Base-Backbone interact. energy: -2.099
local terms energy: -165.920369
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -38.269
flat angles C4'-P-C4' energy: -34.437
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -35.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.595 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -464.065300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.065300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.065300 (E_RNA)
where:
Base-Base interactions energy: -314.356
where: short stacking energy: -118.996
Base-Backbone interact. energy: -0.947
local terms energy: -148.762899
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -35.210
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: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -328.833682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.833682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.833682 (E_RNA)
where:
Base-Base interactions energy: -193.843
where: short stacking energy: -96.865
Base-Backbone interact. energy: -0.102
local terms energy: -134.888810
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -327.173260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.173260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.173260 (E_RNA)
where:
Base-Base interactions energy: -193.887
where: short stacking energy: -90.377
Base-Backbone interact. energy: -0.282
local terms energy: -133.003496
where:
bonds (distance) C4'-P energy: -28.375
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -25.351
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -251.099603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.099603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.099603 (E_RNA)
where:
Base-Base interactions energy: -135.638
where: short stacking energy: -69.373
Base-Backbone interact. energy: -0.853
local terms energy: -114.608825
where:
bonds (distance) C4'-P energy: -32.818
bonds (distance) P-C4' energy: -38.587
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -5.529
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: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -229.306249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.306249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.306249 (E_RNA)
where:
Base-Base interactions energy: -111.524
where: short stacking energy: -64.809
Base-Backbone interact. energy: 1.485
local terms energy: -119.266755
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -34.683
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -11.792
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: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -186.414667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.414667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.414667 (E_RNA)
where:
Base-Base interactions energy: -93.907
where: short stacking energy: -54.529
Base-Backbone interact. energy: 3.293
local terms energy: -95.800728
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -601.921359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.921359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.921359 (E_RNA)
where:
Base-Base interactions energy: -431.198
where: short stacking energy: -164.847
Base-Backbone interact. energy: 2.100
local terms energy: -173.089408
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -36.813
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -45.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.266 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -539.261850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.261850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.261850 (E_RNA)
where:
Base-Base interactions energy: -370.575
where: short stacking energy: -148.433
Base-Backbone interact. energy: -2.025
local terms energy: -166.661268
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -34.139
flat angles C4'-P-C4' energy: -35.839
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -40.928
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: 460
Temperature: 1.000000
Total energy: -560.573839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.573839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.573839 (E_RNA)
where:
Base-Base interactions energy: -389.678
where: short stacking energy: -152.169
Base-Backbone interact. energy: -0.308
local terms energy: -170.587599
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -41.504
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -43.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -521.110696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.110696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.110696 (E_RNA)
where:
Base-Base interactions energy: -357.726
where: short stacking energy: -141.547
Base-Backbone interact. energy: -1.613
local terms energy: -161.829579
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -38.413
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: -36.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -458.064519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.064519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.064519 (E_RNA)
where:
Base-Base interactions energy: -309.895
where: short stacking energy: -137.651
Base-Backbone interact. energy: -0.715
local terms energy: -147.455395
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -38.797
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -37.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -339.795510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.795510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.795510 (E_RNA)
where:
Base-Base interactions energy: -192.488
where: short stacking energy: -97.412
Base-Backbone interact. energy: -1.130
local terms energy: -146.177159
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -32.020
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -19.753
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: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -333.113678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.113678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.113678 (E_RNA)
where:
Base-Base interactions energy: -212.949
where: short stacking energy: -88.791
Base-Backbone interact. energy: 1.487
local terms energy: -121.651643
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -32.816
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -234.946569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.946569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.946569 (E_RNA)
where:
Base-Base interactions energy: -128.843
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.179
local terms energy: -105.925120
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -6.574
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: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -202.722886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722886 (E_RNA)
where:
Base-Base interactions energy: -106.294
where: short stacking energy: -54.754
Base-Backbone interact. energy: 1.943
local terms energy: -101.249014
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -31.630
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.877 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -217.848865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.848865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.848865 (E_RNA)
where:
Base-Base interactions energy: -104.649
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.506
local terms energy: -112.694159
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -607.294826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.294826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.294826 (E_RNA)
where:
Base-Base interactions energy: -427.375
where: short stacking energy: -148.913
Base-Backbone interact. energy: -1.371
local terms energy: -178.548995
where:
bonds (distance) C4'-P energy: -32.595
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -21.663
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: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -562.029370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.029370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.029370 (E_RNA)
where:
Base-Base interactions energy: -382.745
where: short stacking energy: -154.308
Base-Backbone interact. energy: -0.659
local terms energy: -178.625283
where:
bonds (distance) C4'-P energy: -33.941
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -46.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -551.879329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.879329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.879329 (E_RNA)
where:
Base-Base interactions energy: -387.818
where: short stacking energy: -152.501
Base-Backbone interact. energy: -0.636
local terms energy: -163.425777
where:
bonds (distance) C4'-P energy: -32.655
bonds (distance) P-C4' energy: -34.528
flat angles C4'-P-C4' energy: -34.252
flat angles P-C4'-P energy: -22.694
tors. eta vs tors. theta energy: -39.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -466.810167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.810167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.810167 (E_RNA)
where:
Base-Base interactions energy: -302.406
where: short stacking energy: -120.468
Base-Backbone interact. energy: -0.612
local terms energy: -163.792871
where:
bonds (distance) C4'-P energy: -36.711
bonds (distance) P-C4' energy: -36.509
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -27.709
tors. eta vs tors. theta energy: -28.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -521.828277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.828277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.828277 (E_RNA)
where:
Base-Base interactions energy: -362.951
where: short stacking energy: -151.841
Base-Backbone interact. energy: -0.733
local terms energy: -158.313786
where:
bonds (distance) C4'-P energy: -33.609
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -41.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.169 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -323.682634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.682634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.682634 (E_RNA)
where:
Base-Base interactions energy: -190.723
where: short stacking energy: -93.482
Base-Backbone interact. energy: -0.286
local terms energy: -132.673501
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -281.681220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.681220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.681220 (E_RNA)
where:
Base-Base interactions energy: -170.075
where: short stacking energy: -79.830
Base-Backbone interact. energy: -0.954
local terms energy: -110.652061
where:
bonds (distance) C4'-P energy: -28.940
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -256.210300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.210300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.210300 (E_RNA)
where:
Base-Base interactions energy: -134.806
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.999
local terms energy: -120.404936
where:
bonds (distance) C4'-P energy: -34.693
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -8.192
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: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -161.358871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.358871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.358871 (E_RNA)
where:
Base-Base interactions energy: -60.881
where: short stacking energy: -59.169
Base-Backbone interact. energy: 0.604
local terms energy: -101.081852
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -37.987
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -204.632815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.632815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.632815 (E_RNA)
where:
Base-Base interactions energy: -105.790
where: short stacking energy: -52.948
Base-Backbone interact. energy: 0.013
local terms energy: -98.855491
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -37.191
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: 2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -590.599755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.599755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.599755 (E_RNA)
where:
Base-Base interactions energy: -413.540
where: short stacking energy: -160.667
Base-Backbone interact. energy: -0.537
local terms energy: -176.522457
where:
bonds (distance) C4'-P energy: -37.989
bonds (distance) P-C4' energy: -40.632
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -47.516
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: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -571.379553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.379553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.379553 (E_RNA)
where:
Base-Base interactions energy: -397.686
where: short stacking energy: -164.183
Base-Backbone interact. energy: -2.205
local terms energy: -171.488819
where:
bonds (distance) C4'-P energy: -31.415
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -40.164
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -45.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -495.568970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.568970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.568970 (E_RNA)
where:
Base-Base interactions energy: -313.898
where: short stacking energy: -138.536
Base-Backbone interact. energy: -0.908
local terms energy: -180.763655
where:
bonds (distance) C4'-P energy: -37.144
bonds (distance) P-C4' energy: -40.220
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -551.829288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.829288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.829288 (E_RNA)
where:
Base-Base interactions energy: -381.785
where: short stacking energy: -156.575
Base-Backbone interact. energy: -0.669
local terms energy: -169.375597
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -36.736
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -41.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -493.134531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.134531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.134531 (E_RNA)
where:
Base-Base interactions energy: -332.500
where: short stacking energy: -119.029
Base-Backbone interact. energy: -1.299
local terms energy: -159.831237
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -37.801
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -34.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.496 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -305.404094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.404094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.404094 (E_RNA)
where:
Base-Base interactions energy: -175.166
where: short stacking energy: -73.769
Base-Backbone interact. energy: -0.932
local terms energy: -129.305863
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -15.824
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: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -267.577931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.577931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.577931 (E_RNA)
where:
Base-Base interactions energy: -159.763
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.779
local terms energy: -107.035824
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -6.043
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: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -244.636445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.636445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.636445 (E_RNA)
where:
Base-Base interactions energy: -130.711
where: short stacking energy: -74.495
Base-Backbone interact. energy: -0.300
local terms energy: -115.141955
where:
bonds (distance) C4'-P energy: -34.122
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.516 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -170.371015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.371015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.371015 (E_RNA)
where:
Base-Base interactions energy: -71.769
where: short stacking energy: -49.002
Base-Backbone interact. energy: 2.243
local terms energy: -100.844601
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -29.899
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: 4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -151.487813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.487813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.487813 (E_RNA)
where:
Base-Base interactions energy: -44.974
where: short stacking energy: -37.297
Base-Backbone interact. energy: -0.999
local terms energy: -105.515325
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: 7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -604.129189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.129189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.129189 (E_RNA)
where:
Base-Base interactions energy: -427.363
where: short stacking energy: -153.984
Base-Backbone interact. energy: -1.208
local terms energy: -175.557660
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -44.099
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -47.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -575.815159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.815159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.815159 (E_RNA)
where:
Base-Base interactions energy: -398.200
where: short stacking energy: -165.584
Base-Backbone interact. energy: -0.731
local terms energy: -176.883498
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -37.162
flat angles C4'-P-C4' energy: -39.910
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -46.498
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: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -490.959064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.959064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.959064 (E_RNA)
where:
Base-Base interactions energy: -316.146
where: short stacking energy: -140.704
Base-Backbone interact. energy: -0.621
local terms energy: -174.192271
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -36.636
flat angles C4'-P-C4' energy: -38.977
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -41.537
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: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -531.071333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.071333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.071333 (E_RNA)
where:
Base-Base interactions energy: -370.677
where: short stacking energy: -134.625
Base-Backbone interact. energy: -3.019
local terms energy: -157.375544
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -36.675
flat angles P-C4'-P energy: -22.798
tors. eta vs tors. theta energy: -40.599
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: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -499.204114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.204114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.204114 (E_RNA)
where:
Base-Base interactions energy: -332.510
where: short stacking energy: -144.681
Base-Backbone interact. energy: -1.526
local terms energy: -165.410851
where:
bonds (distance) C4'-P energy: -37.746
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -41.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.242 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -325.276025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.276025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.276025 (E_RNA)
where:
Base-Base interactions energy: -192.303
where: short stacking energy: -88.587
Base-Backbone interact. energy: 0.300
local terms energy: -133.766808
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -34.749
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.494 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -266.246045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.246045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.246045 (E_RNA)
where:
Base-Base interactions energy: -161.816
where: short stacking energy: -93.410
Base-Backbone interact. energy: 1.548
local terms energy: -105.978053
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -34.658
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -257.220671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.220671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.220671 (E_RNA)
where:
Base-Base interactions energy: -143.712
where: short stacking energy: -72.954
Base-Backbone interact. energy: -1.048
local terms energy: -112.460707
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -165.061723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.061723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.061723 (E_RNA)
where:
Base-Base interactions energy: -54.843
where: short stacking energy: -40.658
Base-Backbone interact. energy: 1.969
local terms energy: -112.187606
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -32.620
flat angles C4'-P-C4' energy: -35.123
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: 5.553
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: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -177.018540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.018540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.018540 (E_RNA)
where:
Base-Base interactions energy: -72.414
where: short stacking energy: -43.005
Base-Backbone interact. energy: -1.525
local terms energy: -103.079109
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -33.729
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -609.260448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.260448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.260448 (E_RNA)
where:
Base-Base interactions energy: -424.637
where: short stacking energy: -160.759
Base-Backbone interact. energy: -1.958
local terms energy: -182.665640
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -40.700
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -50.416
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: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -573.717097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.717097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.717097 (E_RNA)
where:
Base-Base interactions energy: -387.109
where: short stacking energy: -154.224
Base-Backbone interact. energy: -2.243
local terms energy: -184.364426
where:
bonds (distance) C4'-P energy: -39.682
bonds (distance) P-C4' energy: -39.947
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -42.239
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: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -565.712534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.712534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.712534 (E_RNA)
where:
Base-Base interactions energy: -394.017
where: short stacking energy: -151.495
Base-Backbone interact. energy: -2.409
local terms energy: -169.287015
where:
bonds (distance) C4'-P energy: -29.856
bonds (distance) P-C4' energy: -33.221
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -39.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -467.382222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.382222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.382222 (E_RNA)
where:
Base-Base interactions energy: -296.358
where: short stacking energy: -128.715
Base-Backbone interact. energy: -0.383
local terms energy: -170.641071
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -41.164
flat angles C4'-P-C4' energy: -37.847
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -37.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -515.547361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.547361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.547361 (E_RNA)
where:
Base-Base interactions energy: -346.960
where: short stacking energy: -142.887
Base-Backbone interact. energy: 0.071
local terms energy: -169.660144
where:
bonds (distance) C4'-P energy: -30.460
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -40.402
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -36.925
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: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -330.969220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.969220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.969220 (E_RNA)
where:
Base-Base interactions energy: -189.734
where: short stacking energy: -88.158
Base-Backbone interact. energy: -0.559
local terms energy: -140.675728
where:
bonds (distance) C4'-P energy: -32.666
bonds (distance) P-C4' energy: -38.458
flat angles C4'-P-C4' energy: -33.450
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -257.714179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.714179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.714179 (E_RNA)
where:
Base-Base interactions energy: -145.220
where: short stacking energy: -88.322
Base-Backbone interact. energy: -0.702
local terms energy: -111.792173
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -35.703
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -12.194
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: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -261.783319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.783319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.783319 (E_RNA)
where:
Base-Base interactions energy: -146.387
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.421
local terms energy: -114.975301
where:
bonds (distance) C4'-P energy: -27.258
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -6.579
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: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -216.729068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.729068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.729068 (E_RNA)
where:
Base-Base interactions energy: -107.443
where: short stacking energy: -62.857
Base-Backbone interact. energy: -0.333
local terms energy: -108.952643
where:
bonds (distance) C4'-P energy: -34.068
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: 3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -149.793767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.793767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.793767 (E_RNA)
where:
Base-Base interactions energy: -57.991
where: short stacking energy: -48.985
Base-Backbone interact. energy: -0.077
local terms energy: -91.725896
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -33.824
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: 4.152
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: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -611.468855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.468855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.468855 (E_RNA)
where:
Base-Base interactions energy: -426.289
where: short stacking energy: -165.592
Base-Backbone interact. energy: -1.369
local terms energy: -183.810909
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -37.985
flat angles C4'-P-C4' energy: -40.933
flat angles P-C4'-P energy: -26.642
tors. eta vs tors. theta energy: -47.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -579.473869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.473869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.473869 (E_RNA)
where:
Base-Base interactions energy: -393.403
where: short stacking energy: -163.626
Base-Backbone interact. energy: -1.143
local terms energy: -185.247815
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -38.789
flat angles C4'-P-C4' energy: -39.847
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -45.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.319 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -567.127066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.127066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.127066 (E_RNA)
where:
Base-Base interactions energy: -389.090
where: short stacking energy: -152.029
Base-Backbone interact. energy: -1.744
local terms energy: -176.293165
where:
bonds (distance) C4'-P energy: -40.123
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -37.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -533.969991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.969991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.969991 (E_RNA)
where:
Base-Base interactions energy: -365.642
where: short stacking energy: -137.836
Base-Backbone interact. energy: -1.297
local terms energy: -167.031377
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -33.279
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -29.896
tors. eta vs tors. theta energy: -39.969
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: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -449.982036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.982036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.982036 (E_RNA)
where:
Base-Base interactions energy: -296.314
where: short stacking energy: -116.363
Base-Backbone interact. energy: 0.811
local terms energy: -154.478591
where:
bonds (distance) C4'-P energy: -33.978
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -36.613
flat angles P-C4'-P energy: -23.125
tors. eta vs tors. theta energy: -32.384
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: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -281.112438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.112438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.112438 (E_RNA)
where:
Base-Base interactions energy: -160.197
where: short stacking energy: -78.448
Base-Backbone interact. energy: -1.273
local terms energy: -119.641903
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -34.456
flat angles C4'-P-C4' energy: -30.463
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -11.427
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: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -330.009424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.009424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.009424 (E_RNA)
where:
Base-Base interactions energy: -193.244
where: short stacking energy: -100.108
Base-Backbone interact. energy: 0.551
local terms energy: -137.315897
where:
bonds (distance) C4'-P energy: -33.258
bonds (distance) P-C4' energy: -32.983
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -280.372125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.372125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.372125 (E_RNA)
where:
Base-Base interactions energy: -165.246
where: short stacking energy: -62.747
Base-Backbone interact. energy: -0.356
local terms energy: -114.770561
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -233.270531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.270531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.270531 (E_RNA)
where:
Base-Base interactions energy: -113.565
where: short stacking energy: -64.682
Base-Backbone interact. energy: -0.916
local terms energy: -118.789840
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -38.559
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -5.929
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: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -165.565155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.565155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.565155 (E_RNA)
where:
Base-Base interactions energy: -59.913
where: short stacking energy: -49.958
Base-Backbone interact. energy: 1.682
local terms energy: -107.333651
where:
bonds (distance) C4'-P energy: -24.459
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -598.725064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.725064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.725064 (E_RNA)
where:
Base-Base interactions energy: -419.747
where: short stacking energy: -168.724
Base-Backbone interact. energy: -1.072
local terms energy: -177.906443
where:
bonds (distance) C4'-P energy: -38.900
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -44.940
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: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -578.385331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.385331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.385331 (E_RNA)
where:
Base-Base interactions energy: -398.385
where: short stacking energy: -162.566
Base-Backbone interact. energy: -0.115
local terms energy: -180.170878
where:
bonds (distance) C4'-P energy: -35.673
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -27.805
tors. eta vs tors. theta energy: -45.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.286 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -575.840222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.840222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.840222 (E_RNA)
where:
Base-Base interactions energy: -397.092
where: short stacking energy: -147.146
Base-Backbone interact. energy: -1.956
local terms energy: -176.791973
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -33.616
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -32.092
tors. eta vs tors. theta energy: -39.494
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -497.869927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.869927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.869927 (E_RNA)
where:
Base-Base interactions energy: -340.817
where: short stacking energy: -140.014
Base-Backbone interact. energy: -1.133
local terms energy: -155.920124
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -41.363
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -37.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -438.970584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.970584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.970584 (E_RNA)
where:
Base-Base interactions energy: -293.035
where: short stacking energy: -127.267
Base-Backbone interact. energy: -0.127
local terms energy: -145.809147
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -32.179
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -271.379631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.379631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.379631 (E_RNA)
where:
Base-Base interactions energy: -141.580
where: short stacking energy: -81.107
Base-Backbone interact. energy: -0.571
local terms energy: -129.228549
where:
bonds (distance) C4'-P energy: -39.761
bonds (distance) P-C4' energy: -33.158
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -336.880425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.880425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.880425 (E_RNA)
where:
Base-Base interactions energy: -195.292
where: short stacking energy: -90.871
Base-Backbone interact. energy: -0.497
local terms energy: -141.091503
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -276.191497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.191497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.191497 (E_RNA)
where:
Base-Base interactions energy: -156.501
where: short stacking energy: -93.537
Base-Backbone interact. energy: -0.242
local terms energy: -119.448196
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -32.482
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -214.965821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.965821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.965821 (E_RNA)
where:
Base-Base interactions energy: -101.972
where: short stacking energy: -53.119
Base-Backbone interact. energy: 0.713
local terms energy: -113.707448
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -35.508
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: 1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -161.701907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.701907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.701907 (E_RNA)
where:
Base-Base interactions energy: -72.480
where: short stacking energy: -65.522
Base-Backbone interact. energy: 0.095
local terms energy: -89.381226
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -32.404
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: 3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.064 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -597.154905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.154905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.154905 (E_RNA)
where:
Base-Base interactions energy: -411.554
where: short stacking energy: -159.058
Base-Backbone interact. energy: -1.158
local terms energy: -184.443065
where:
bonds (distance) C4'-P energy: -34.339
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -43.088
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -47.168
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: 467
Temperature: 0.950000
Total energy: -561.655903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.655903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.655903 (E_RNA)
where:
Base-Base interactions energy: -400.343
where: short stacking energy: -151.552
Base-Backbone interact. energy: -0.935
local terms energy: -160.378468
where:
bonds (distance) C4'-P energy: -35.122
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -39.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -565.080447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.080447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.080447 (E_RNA)
where:
Base-Base interactions energy: -394.418
where: short stacking energy: -158.922
Base-Backbone interact. energy: -0.248
local terms energy: -170.415106
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -38.387
flat angles C4'-P-C4' energy: -35.439
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -44.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -500.243522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.243522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.243522 (E_RNA)
where:
Base-Base interactions energy: -339.539
where: short stacking energy: -133.345
Base-Backbone interact. energy: -0.527
local terms energy: -160.177417
where:
bonds (distance) C4'-P energy: -26.488
bonds (distance) P-C4' energy: -40.002
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -37.672
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: 467
Temperature: 1.100000
Total energy: -436.449543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.449543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.449543 (E_RNA)
where:
Base-Base interactions energy: -277.136
where: short stacking energy: -121.128
Base-Backbone interact. energy: -1.734
local terms energy: -157.578994
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -34.108
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -34.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -361.636914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.636914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.636914 (E_RNA)
where:
Base-Base interactions energy: -210.333
where: short stacking energy: -110.249
Base-Backbone interact. energy: -3.087
local terms energy: -148.216937
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -34.334
flat angles C4'-P-C4' energy: -38.983
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -28.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -294.332268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.332268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.332268 (E_RNA)
where:
Base-Base interactions energy: -164.937
where: short stacking energy: -79.035
Base-Backbone interact. energy: -0.197
local terms energy: -129.198164
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -28.830
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -24.657
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: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -265.950779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.950779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.950779 (E_RNA)
where:
Base-Base interactions energy: -147.590
where: short stacking energy: -79.361
Base-Backbone interact. energy: -0.593
local terms energy: -117.767519
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -33.053
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -216.853607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.853607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.853607 (E_RNA)
where:
Base-Base interactions energy: -115.944
where: short stacking energy: -74.005
Base-Backbone interact. energy: -1.441
local terms energy: -99.468086
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -159.649566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.649566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.649566 (E_RNA)
where:
Base-Base interactions energy: -41.244
where: short stacking energy: -32.785
Base-Backbone interact. energy: 0.288
local terms energy: -118.693816
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -595.758896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.758896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.758896 (E_RNA)
where:
Base-Base interactions energy: -422.721
where: short stacking energy: -166.407
Base-Backbone interact. energy: -0.813
local terms energy: -172.224856
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -46.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -553.605954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.605954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.605954 (E_RNA)
where:
Base-Base interactions energy: -382.074
where: short stacking energy: -152.369
Base-Backbone interact. energy: -0.824
local terms energy: -170.708214
where:
bonds (distance) C4'-P energy: -35.947
bonds (distance) P-C4' energy: -30.142
flat angles C4'-P-C4' energy: -44.118
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -41.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -565.957768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.957768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.957768 (E_RNA)
where:
Base-Base interactions energy: -393.395
where: short stacking energy: -156.185
Base-Backbone interact. energy: 2.304
local terms energy: -174.867394
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -35.104
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -40.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -509.713406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.713406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.713406 (E_RNA)
where:
Base-Base interactions energy: -349.447
where: short stacking energy: -135.099
Base-Backbone interact. energy: -1.529
local terms energy: -158.737252
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -35.234
flat angles C4'-P-C4' energy: -35.388
flat angles P-C4'-P energy: -22.712
tors. eta vs tors. theta energy: -38.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -424.317785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.317785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.317785 (E_RNA)
where:
Base-Base interactions energy: -280.162
where: short stacking energy: -117.520
Base-Backbone interact. energy: 1.550
local terms energy: -145.705654
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -34.530
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -29.652
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: 468
Temperature: 1.150000
Total energy: -376.554823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.554823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.554823 (E_RNA)
where:
Base-Base interactions energy: -233.663
where: short stacking energy: -118.261
Base-Backbone interact. energy: -2.641
local terms energy: -140.251576
where:
bonds (distance) C4'-P energy: -28.981
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -38.768
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -288.012545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.012545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.012545 (E_RNA)
where:
Base-Base interactions energy: -155.575
where: short stacking energy: -82.461
Base-Backbone interact. energy: -0.245
local terms energy: -132.192311
where:
bonds (distance) C4'-P energy: -37.913
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -30.102
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -8.410
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: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -291.898946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.898946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.898946 (E_RNA)
where:
Base-Base interactions energy: -160.194
where: short stacking energy: -83.173
Base-Backbone interact. energy: 0.892
local terms energy: -132.596743
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -183.004459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.004459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.004459 (E_RNA)
where:
Base-Base interactions energy: -68.922
where: short stacking energy: -53.507
Base-Backbone interact. energy: 0.449
local terms energy: -114.531046
where:
bonds (distance) C4'-P energy: -28.934
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -3.192
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: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -215.215146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.215146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.215146 (E_RNA)
where:
Base-Base interactions energy: -106.803
where: short stacking energy: -63.889
Base-Backbone interact. energy: -0.476
local terms energy: -107.935686
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -33.868
flat angles C4'-P-C4' energy: -33.351
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: 2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -595.762628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.762628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.762628 (E_RNA)
where:
Base-Base interactions energy: -423.543
where: short stacking energy: -167.744
Base-Backbone interact. energy: -0.592
local terms energy: -171.628446
where:
bonds (distance) C4'-P energy: -31.883
bonds (distance) P-C4' energy: -36.804
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -39.577
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: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -591.467819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.467819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.467819 (E_RNA)
where:
Base-Base interactions energy: -401.115
where: short stacking energy: -159.115
Base-Backbone interact. energy: -0.519
local terms energy: -190.235880
where:
bonds (distance) C4'-P energy: -39.653
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -39.286
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -47.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.403 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -557.774564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.774564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.774564 (E_RNA)
where:
Base-Base interactions energy: -390.540
where: short stacking energy: -143.197
Base-Backbone interact. energy: -1.066
local terms energy: -166.168311
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -26.893
tors. eta vs tors. theta energy: -46.201
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: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -493.799689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.799689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.799689 (E_RNA)
where:
Base-Base interactions energy: -335.123
where: short stacking energy: -150.117
Base-Backbone interact. energy: -0.554
local terms energy: -158.123137
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -34.265
flat angles P-C4'-P energy: -24.859
tors. eta vs tors. theta energy: -42.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -452.291606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.291606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.291606 (E_RNA)
where:
Base-Base interactions energy: -295.024
where: short stacking energy: -123.551
Base-Backbone interact. energy: -1.501
local terms energy: -155.765739
where:
bonds (distance) C4'-P energy: -34.604
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -30.734
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: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -352.400273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.400273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.400273 (E_RNA)
where:
Base-Base interactions energy: -201.699
where: short stacking energy: -92.897
Base-Backbone interact. energy: -0.640
local terms energy: -150.741707
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.680 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -281.602948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.602948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.602948 (E_RNA)
where:
Base-Base interactions energy: -162.126
where: short stacking energy: -83.815
Base-Backbone interact. energy: -0.512
local terms energy: -118.964850
where:
bonds (distance) C4'-P energy: -33.790
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -23.735
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: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -302.875640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.875640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.875640 (E_RNA)
where:
Base-Base interactions energy: -182.636
where: short stacking energy: -85.034
Base-Backbone interact. energy: -1.008
local terms energy: -119.231509
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -31.372
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -13.664
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: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -177.197966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.197966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.197966 (E_RNA)
where:
Base-Base interactions energy: -71.530
where: short stacking energy: -53.786
Base-Backbone interact. energy: 0.424
local terms energy: -106.092144
where:
bonds (distance) C4'-P energy: -33.526
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -1.395
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: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -220.408182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.408182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.408182 (E_RNA)
where:
Base-Base interactions energy: -102.235
where: short stacking energy: -64.177
Base-Backbone interact. energy: -0.058
local terms energy: -118.115221
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -31.955
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -1.108
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: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -593.978497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.978497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.978497 (E_RNA)
where:
Base-Base interactions energy: -417.129
where: short stacking energy: -175.029
Base-Backbone interact. energy: 0.217
local terms energy: -177.129953
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -36.532
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: -49.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.064 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -596.102104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.102104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.102104 (E_RNA)
where:
Base-Base interactions energy: -419.454
where: short stacking energy: -168.771
Base-Backbone interact. energy: 0.822
local terms energy: -177.470317
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -28.443
tors. eta vs tors. theta energy: -45.620
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: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -566.429052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.429052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.429052 (E_RNA)
where:
Base-Base interactions energy: -394.160
where: short stacking energy: -151.156
Base-Backbone interact. energy: -2.200
local terms energy: -170.069492
where:
bonds (distance) C4'-P energy: -30.964
bonds (distance) P-C4' energy: -35.017
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -43.975
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: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -500.385053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.385053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.385053 (E_RNA)
where:
Base-Base interactions energy: -338.041
where: short stacking energy: -149.087
Base-Backbone interact. energy: -0.953
local terms energy: -161.391080
where:
bonds (distance) C4'-P energy: -30.035
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -40.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -412.999927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.999927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.999927 (E_RNA)
where:
Base-Base interactions energy: -274.253
where: short stacking energy: -117.259
Base-Backbone interact. energy: -1.898
local terms energy: -136.848726
where:
bonds (distance) C4'-P energy: -30.388
bonds (distance) P-C4' energy: -33.712
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -26.739
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: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -383.424703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.424703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.424703 (E_RNA)
where:
Base-Base interactions energy: -223.412
where: short stacking energy: -106.430
Base-Backbone interact. energy: -0.132
local terms energy: -159.880986
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -36.690
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -29.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -310.225959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.225959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.225959 (E_RNA)
where:
Base-Base interactions energy: -166.286
where: short stacking energy: -79.048
Base-Backbone interact. energy: -1.027
local terms energy: -142.913106
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -26.280
tors. eta vs tors. theta energy: -16.344
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: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -261.237133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.237133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.237133 (E_RNA)
where:
Base-Base interactions energy: -141.897
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.052
local terms energy: -120.622984
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -33.651
flat angles C4'-P-C4' energy: -22.812
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.334 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -219.855048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.855048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.855048 (E_RNA)
where:
Base-Base interactions energy: -109.660
where: short stacking energy: -72.001
Base-Backbone interact. energy: 1.310
local terms energy: -111.504465
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -151.536203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.536203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.536203 (E_RNA)
where:
Base-Base interactions energy: -45.831
where: short stacking energy: -37.593
Base-Backbone interact. energy: 0.115
local terms energy: -105.820557
where:
bonds (distance) C4'-P energy: -30.988
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -24.878
tors. eta vs tors. theta energy: 3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -596.969000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.969000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.969000 (E_RNA)
where:
Base-Base interactions energy: -407.618
where: short stacking energy: -167.965
Base-Backbone interact. energy: -0.399
local terms energy: -189.403072
where:
bonds (distance) C4'-P energy: -25.577
bonds (distance) P-C4' energy: -39.224
flat angles C4'-P-C4' energy: -41.975
flat angles P-C4'-P energy: -30.245
tors. eta vs tors. theta energy: -52.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.451 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -591.621607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.621607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.621607 (E_RNA)
where:
Base-Base interactions energy: -415.003
where: short stacking energy: -169.086
Base-Backbone interact. energy: -0.071
local terms energy: -176.548115
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -36.558
flat angles C4'-P-C4' energy: -42.972
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -44.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -550.057910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.057910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.057910 (E_RNA)
where:
Base-Base interactions energy: -380.529
where: short stacking energy: -146.601
Base-Backbone interact. energy: -0.930
local terms energy: -168.598789
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -37.628
flat angles C4'-P-C4' energy: -36.591
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -43.326
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: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -516.559018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.559018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.559018 (E_RNA)
where:
Base-Base interactions energy: -359.000
where: short stacking energy: -135.242
Base-Backbone interact. energy: -0.261
local terms energy: -157.297716
where:
bonds (distance) C4'-P energy: -31.695
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -33.403
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: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -448.709918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.709918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.709918 (E_RNA)
where:
Base-Base interactions energy: -281.453
where: short stacking energy: -124.961
Base-Backbone interact. energy: 0.001
local terms energy: -167.257914
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -32.363
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: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -368.998449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.998449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.998449 (E_RNA)
where:
Base-Base interactions energy: -229.998
where: short stacking energy: -102.970
Base-Backbone interact. energy: -0.346
local terms energy: -138.654957
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -27.865
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: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -318.158495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.158495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.158495 (E_RNA)
where:
Base-Base interactions energy: -178.109
where: short stacking energy: -79.566
Base-Backbone interact. energy: -0.447
local terms energy: -139.602377
where:
bonds (distance) C4'-P energy: -34.512
bonds (distance) P-C4' energy: -37.955
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -19.115
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: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -274.105678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.105678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.105678 (E_RNA)
where:
Base-Base interactions energy: -164.505
where: short stacking energy: -89.991
Base-Backbone interact. energy: 1.862
local terms energy: -111.462156
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -32.207
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -236.718457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.718457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.718457 (E_RNA)
where:
Base-Base interactions energy: -128.461
where: short stacking energy: -71.452
Base-Backbone interact. energy: -1.695
local terms energy: -106.563354
where:
bonds (distance) C4'-P energy: -28.624
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -150.656084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.656084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.656084 (E_RNA)
where:
Base-Base interactions energy: -43.189
where: short stacking energy: -38.090
Base-Backbone interact. energy: 1.185
local terms energy: -108.936679
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.285 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -596.288137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.288137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.288137 (E_RNA)
where:
Base-Base interactions energy: -409.793
where: short stacking energy: -171.595
Base-Backbone interact. energy: -0.807
local terms energy: -185.688891
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -36.429
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -27.770
tors. eta vs tors. theta energy: -46.633
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: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -586.009014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.009014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.009014 (E_RNA)
where:
Base-Base interactions energy: -408.062
where: short stacking energy: -145.069
Base-Backbone interact. energy: -0.474
local terms energy: -177.530739
where:
bonds (distance) C4'-P energy: -41.160
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -43.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -531.287001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.287001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.287001 (E_RNA)
where:
Base-Base interactions energy: -369.473
where: short stacking energy: -131.007
Base-Backbone interact. energy: -0.948
local terms energy: -160.866022
where:
bonds (distance) C4'-P energy: -25.742
bonds (distance) P-C4' energy: -36.031
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -34.799
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: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -532.796387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.796387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.796387 (E_RNA)
where:
Base-Base interactions energy: -366.491
where: short stacking energy: -138.864
Base-Backbone interact. energy: -0.636
local terms energy: -165.669716
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -34.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -424.052055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.052055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.052055 (E_RNA)
where:
Base-Base interactions energy: -269.601
where: short stacking energy: -118.236
Base-Backbone interact. energy: -0.979
local terms energy: -153.472542
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -35.012
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -31.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -364.302310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.302310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.302310 (E_RNA)
where:
Base-Base interactions energy: -231.612
where: short stacking energy: -109.591
Base-Backbone interact. energy: 0.796
local terms energy: -133.485616
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -25.718
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -27.690
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: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -277.639000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.639000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.639000 (E_RNA)
where:
Base-Base interactions energy: -145.474
where: short stacking energy: -80.853
Base-Backbone interact. energy: -0.340
local terms energy: -131.824927
where:
bonds (distance) C4'-P energy: -36.283
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -290.004678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.004678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.004678 (E_RNA)
where:
Base-Base interactions energy: -175.060
where: short stacking energy: -81.333
Base-Backbone interact. energy: 0.919
local terms energy: -115.864565
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -36.638
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -226.704227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.704227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.704227 (E_RNA)
where:
Base-Base interactions energy: -105.912
where: short stacking energy: -55.287
Base-Backbone interact. energy: -0.510
local terms energy: -120.282162
where:
bonds (distance) C4'-P energy: -29.907
bonds (distance) P-C4' energy: -33.332
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -155.911641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.911641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.911641 (E_RNA)
where:
Base-Base interactions energy: -53.760
where: short stacking energy: -46.028
Base-Backbone interact. energy: -0.121
local terms energy: -102.031174
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: 11.076
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: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -591.157045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.157045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.157045 (E_RNA)
where:
Base-Base interactions energy: -402.746
where: short stacking energy: -166.772
Base-Backbone interact. energy: -0.696
local terms energy: -187.714594
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -38.773
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -27.901
tors. eta vs tors. theta energy: -45.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -580.978924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.978924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.978924 (E_RNA)
where:
Base-Base interactions energy: -401.437
where: short stacking energy: -160.232
Base-Backbone interact. energy: -0.855
local terms energy: -179.994381
where:
bonds (distance) C4'-P energy: -33.874
bonds (distance) P-C4' energy: -42.754
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -46.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.307 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -507.253100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.253100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.253100 (E_RNA)
where:
Base-Base interactions energy: -346.306
where: short stacking energy: -133.529
Base-Backbone interact. energy: 0.732
local terms energy: -161.678890
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -37.216
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -35.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -537.613843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.613843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.613843 (E_RNA)
where:
Base-Base interactions energy: -364.864
where: short stacking energy: -147.948
Base-Backbone interact. energy: -0.249
local terms energy: -172.500942
where:
bonds (distance) C4'-P energy: -34.334
bonds (distance) P-C4' energy: -37.960
flat angles C4'-P-C4' energy: -34.607
flat angles P-C4'-P energy: -24.415
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -427.056258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.056258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.056258 (E_RNA)
where:
Base-Base interactions energy: -280.171
where: short stacking energy: -113.429
Base-Backbone interact. energy: 1.785
local terms energy: -148.670260
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -341.147052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.147052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.147052 (E_RNA)
where:
Base-Base interactions energy: -225.124
where: short stacking energy: -94.025
Base-Backbone interact. energy: -1.835
local terms energy: -114.188124
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -268.642339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.642339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.642339 (E_RNA)
where:
Base-Base interactions energy: -143.221
where: short stacking energy: -76.989
Base-Backbone interact. energy: -0.930
local terms energy: -124.490526
where:
bonds (distance) C4'-P energy: -32.868
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -11.274
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: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -322.221183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.221183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.221183 (E_RNA)
where:
Base-Base interactions energy: -201.188
where: short stacking energy: -84.191
Base-Backbone interact. energy: 1.688
local terms energy: -122.721637
where:
bonds (distance) C4'-P energy: -38.738
bonds (distance) P-C4' energy: -30.262
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -239.705129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.705129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.705129 (E_RNA)
where:
Base-Base interactions energy: -122.576
where: short stacking energy: -70.549
Base-Backbone interact. energy: 5.592
local terms energy: -122.721573
where:
bonds (distance) C4'-P energy: -38.998
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -6.338
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: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -159.707443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.707443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.707443 (E_RNA)
where:
Base-Base interactions energy: -61.901
where: short stacking energy: -39.872
Base-Backbone interact. energy: -1.877
local terms energy: -95.929706
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: 6.735
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: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -608.893151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.893151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.893151 (E_RNA)
where:
Base-Base interactions energy: -428.451
where: short stacking energy: -166.742
Base-Backbone interact. energy: -0.551
local terms energy: -179.891826
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -38.381
flat angles C4'-P-C4' energy: -39.359
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -42.292
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: 474
Temperature: 0.950000
Total energy: -587.176429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.176429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.176429 (E_RNA)
where:
Base-Base interactions energy: -419.276
where: short stacking energy: -163.335
Base-Backbone interact. energy: -0.075
local terms energy: -167.824959
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -45.764
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: 474
Temperature: 1.000000
Total energy: -557.532646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.532646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.532646 (E_RNA)
where:
Base-Base interactions energy: -385.212
where: short stacking energy: -144.846
Base-Backbone interact. energy: -0.773
local terms energy: -171.547944
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -32.382
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -41.356
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: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -506.582457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.582457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.582457 (E_RNA)
where:
Base-Base interactions energy: -339.414
where: short stacking energy: -150.565
Base-Backbone interact. energy: -1.109
local terms energy: -166.059317
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -36.065
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -46.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -420.784993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.784993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.784993 (E_RNA)
where:
Base-Base interactions energy: -269.249
where: short stacking energy: -106.642
Base-Backbone interact. energy: -1.020
local terms energy: -150.515125
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -29.440
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: 474
Temperature: 1.150000
Total energy: -367.410877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.410877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.410877 (E_RNA)
where:
Base-Base interactions energy: -230.635
where: short stacking energy: -114.087
Base-Backbone interact. energy: -0.635
local terms energy: -136.141286
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -26.133
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: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -310.981773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.981773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.981773 (E_RNA)
where:
Base-Base interactions energy: -198.558
where: short stacking energy: -84.168
Base-Backbone interact. energy: -0.172
local terms energy: -112.250902
where:
bonds (distance) C4'-P energy: -25.912
bonds (distance) P-C4' energy: -29.618
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -9.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -256.475444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.475444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.475444 (E_RNA)
where:
Base-Base interactions energy: -127.993
where: short stacking energy: -59.526
Base-Backbone interact. energy: -1.162
local terms energy: -127.320345
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -33.267
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -28.341
tors. eta vs tors. theta energy: -3.784
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: 474
Temperature: 1.300000
Total energy: -166.734697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.734697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.734697 (E_RNA)
where:
Base-Base interactions energy: -75.048
where: short stacking energy: -57.171
Base-Backbone interact. energy: -1.966
local terms energy: -94.829043
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.108 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -188.317782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.317782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.317782 (E_RNA)
where:
Base-Base interactions energy: -105.004
where: short stacking energy: -42.560
Base-Backbone interact. energy: 0.006
local terms energy: -83.319244
where:
bonds (distance) C4'-P energy: -27.968
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -15.575
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -602.757456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.757456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.757456 (E_RNA)
where:
Base-Base interactions energy: -419.756
where: short stacking energy: -165.110
Base-Backbone interact. energy: -0.340
local terms energy: -182.661056
where:
bonds (distance) C4'-P energy: -36.702
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -39.805
flat angles P-C4'-P energy: -30.545
tors. eta vs tors. theta energy: -43.167
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: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -579.347525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.347525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.347525 (E_RNA)
where:
Base-Base interactions energy: -398.413
where: short stacking energy: -163.207
Base-Backbone interact. energy: -0.609
local terms energy: -180.325616
where:
bonds (distance) C4'-P energy: -35.214
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -42.987
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -48.813
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: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -570.508743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.508743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.508743 (E_RNA)
where:
Base-Base interactions energy: -399.213
where: short stacking energy: -160.090
Base-Backbone interact. energy: -0.722
local terms energy: -170.783832
where:
bonds (distance) C4'-P energy: -31.349
bonds (distance) P-C4' energy: -31.109
flat angles C4'-P-C4' energy: -37.050
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: -46.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.210 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -510.037863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.037863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.037863 (E_RNA)
where:
Base-Base interactions energy: -344.980
where: short stacking energy: -134.716
Base-Backbone interact. energy: 0.414
local terms energy: -165.472208
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -40.067
flat angles C4'-P-C4' energy: -35.403
flat angles P-C4'-P energy: -25.551
tors. eta vs tors. theta energy: -36.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -435.703163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.703163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.703163 (E_RNA)
where:
Base-Base interactions energy: -296.670
where: short stacking energy: -117.428
Base-Backbone interact. energy: -0.204
local terms energy: -138.828700
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -34.690
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -32.436
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: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -339.336996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.336996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.336996 (E_RNA)
where:
Base-Base interactions energy: -204.040
where: short stacking energy: -87.860
Base-Backbone interact. energy: -1.102
local terms energy: -134.194969
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -314.899783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.899783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.899783 (E_RNA)
where:
Base-Base interactions energy: -188.177
where: short stacking energy: -96.481
Base-Backbone interact. energy: -0.370
local terms energy: -126.352516
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -27.461
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -256.635896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.635896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.635896 (E_RNA)
where:
Base-Base interactions energy: -158.214
where: short stacking energy: -81.887
Base-Backbone interact. energy: -0.366
local terms energy: -98.306557
where:
bonds (distance) C4'-P energy: -27.675
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.251 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -166.957540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.957540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.957540 (E_RNA)
where:
Base-Base interactions energy: -59.659
where: short stacking energy: -42.008
Base-Backbone interact. energy: -0.511
local terms energy: -107.507853
where:
bonds (distance) C4'-P energy: -34.507
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.720 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -168.658528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.658528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.658528 (E_RNA)
where:
Base-Base interactions energy: -69.505
where: short stacking energy: -54.943
Base-Backbone interact. energy: -0.120
local terms energy: -99.033512
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -585.783355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.783355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.783355 (E_RNA)
where:
Base-Base interactions energy: -400.985
where: short stacking energy: -164.439
Base-Backbone interact. energy: -0.213
local terms energy: -184.585248
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -37.151
flat angles P-C4'-P energy: -29.216
tors. eta vs tors. theta energy: -47.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -576.367130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.367130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.367130 (E_RNA)
where:
Base-Base interactions energy: -401.580
where: short stacking energy: -152.196
Base-Backbone interact. energy: -1.408
local terms energy: -173.378645
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -36.565
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -523.176064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.176064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.176064 (E_RNA)
where:
Base-Base interactions energy: -349.271
where: short stacking energy: -149.738
Base-Backbone interact. energy: 0.039
local terms energy: -173.943711
where:
bonds (distance) C4'-P energy: -30.582
bonds (distance) P-C4' energy: -41.482
flat angles C4'-P-C4' energy: -32.789
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -44.123
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: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -562.451470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.451470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.451470 (E_RNA)
where:
Base-Base interactions energy: -398.334
where: short stacking energy: -152.443
Base-Backbone interact. energy: 0.694
local terms energy: -164.811804
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -38.783
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -28.587
tors. eta vs tors. theta energy: -43.858
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: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -430.217239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.217239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.217239 (E_RNA)
where:
Base-Base interactions energy: -299.797
where: short stacking energy: -114.183
Base-Backbone interact. energy: -0.287
local terms energy: -130.132355
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -359.768021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.768021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.768021 (E_RNA)
where:
Base-Base interactions energy: -218.552
where: short stacking energy: -98.722
Base-Backbone interact. energy: -0.439
local terms energy: -140.776722
where:
bonds (distance) C4'-P energy: -33.941
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -347.908680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.908680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.908680 (E_RNA)
where:
Base-Base interactions energy: -218.837
where: short stacking energy: -89.240
Base-Backbone interact. energy: -0.926
local terms energy: -128.145288
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -265.189939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.189939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.189939 (E_RNA)
where:
Base-Base interactions energy: -136.239
where: short stacking energy: -78.307
Base-Backbone interact. energy: -1.137
local terms energy: -127.814200
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -35.442
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -165.666433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.666433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.666433 (E_RNA)
where:
Base-Base interactions energy: -72.442
where: short stacking energy: -42.448
Base-Backbone interact. energy: 0.126
local terms energy: -93.350383
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: 4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -195.717160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.717160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.717160 (E_RNA)
where:
Base-Base interactions energy: -85.174
where: short stacking energy: -54.775
Base-Backbone interact. energy: -1.025
local terms energy: -109.517776
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -583.658651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.658651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.658651 (E_RNA)
where:
Base-Base interactions energy: -403.586
where: short stacking energy: -167.649
Base-Backbone interact. energy: -0.605
local terms energy: -179.467502
where:
bonds (distance) C4'-P energy: -30.523
bonds (distance) P-C4' energy: -39.772
flat angles C4'-P-C4' energy: -38.041
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -47.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -575.591246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.591246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.591246 (E_RNA)
where:
Base-Base interactions energy: -400.292
where: short stacking energy: -148.669
Base-Backbone interact. energy: -1.472
local terms energy: -173.827366
where:
bonds (distance) C4'-P energy: -40.744
bonds (distance) P-C4' energy: -39.777
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -38.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -512.281491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.281491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.281491 (E_RNA)
where:
Base-Base interactions energy: -345.600
where: short stacking energy: -133.474
Base-Backbone interact. energy: -2.385
local terms energy: -164.296368
where:
bonds (distance) C4'-P energy: -40.653
bonds (distance) P-C4' energy: -30.955
flat angles C4'-P-C4' energy: -37.819
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -36.366
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: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -561.151000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.151000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.151000 (E_RNA)
where:
Base-Base interactions energy: -397.009
where: short stacking energy: -170.786
Base-Backbone interact. energy: -2.210
local terms energy: -161.932244
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -27.930
flat angles C4'-P-C4' energy: -37.437
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -47.073
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: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -438.995641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.995641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.995641 (E_RNA)
where:
Base-Base interactions energy: -286.666
where: short stacking energy: -115.380
Base-Backbone interact. energy: -1.360
local terms energy: -150.970105
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -31.114
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: -25.855
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: 477
Temperature: 1.150000
Total energy: -335.411919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.411919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.411919 (E_RNA)
where:
Base-Base interactions energy: -204.260
where: short stacking energy: -95.398
Base-Backbone interact. energy: 2.344
local terms energy: -133.495970
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -20.727
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -363.945629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.945629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.945629 (E_RNA)
where:
Base-Base interactions energy: -231.083
where: short stacking energy: -105.493
Base-Backbone interact. energy: 4.122
local terms energy: -136.983808
where:
bonds (distance) C4'-P energy: -36.219
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -262.862122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.862122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.862122 (E_RNA)
where:
Base-Base interactions energy: -150.338
where: short stacking energy: -79.984
Base-Backbone interact. energy: 0.418
local terms energy: -113.011979
where:
bonds (distance) C4'-P energy: -26.707
bonds (distance) P-C4' energy: -30.489
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -14.933
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: 0.070 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -183.405811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.405811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.405811 (E_RNA)
where:
Base-Base interactions energy: -77.093
where: short stacking energy: -48.518
Base-Backbone interact. energy: 1.699
local terms energy: -108.012026
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -176.277754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.277754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.277754 (E_RNA)
where:
Base-Base interactions energy: -63.096
where: short stacking energy: -45.862
Base-Backbone interact. energy: 2.422
local terms energy: -115.603553
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: 2.734
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: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -558.388859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.388859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.388859 (E_RNA)
where:
Base-Base interactions energy: -393.608
where: short stacking energy: -166.917
Base-Backbone interact. energy: -0.960
local terms energy: -164.116926
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -45.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.296 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -583.479153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.479153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.479153 (E_RNA)
where:
Base-Base interactions energy: -411.264
where: short stacking energy: -159.583
Base-Backbone interact. energy: -1.291
local terms energy: -170.924151
where:
bonds (distance) C4'-P energy: -30.166
bonds (distance) P-C4' energy: -40.272
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -40.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -535.245995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.245995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.245995 (E_RNA)
where:
Base-Base interactions energy: -357.460
where: short stacking energy: -134.179
Base-Backbone interact. energy: -1.145
local terms energy: -176.640630
where:
bonds (distance) C4'-P energy: -39.348
bonds (distance) P-C4' energy: -35.238
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -29.844
tors. eta vs tors. theta energy: -37.892
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: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -556.682568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.682568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.682568 (E_RNA)
where:
Base-Base interactions energy: -383.258
where: short stacking energy: -146.305
Base-Backbone interact. energy: -0.743
local terms energy: -172.681176
where:
bonds (distance) C4'-P energy: -39.459
bonds (distance) P-C4' energy: -32.885
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -41.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -504.784914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.784914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.784914 (E_RNA)
where:
Base-Base interactions energy: -340.333
where: short stacking energy: -141.501
Base-Backbone interact. energy: -1.855
local terms energy: -162.596931
where:
bonds (distance) C4'-P energy: -35.969
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -40.730
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: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -327.046591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.046591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.046591 (E_RNA)
where:
Base-Base interactions energy: -197.006
where: short stacking energy: -83.358
Base-Backbone interact. energy: -1.752
local terms energy: -128.288499
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -36.340
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -357.064302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.064302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.064302 (E_RNA)
where:
Base-Base interactions energy: -225.040
where: short stacking energy: -93.974
Base-Backbone interact. energy: -0.571
local terms energy: -131.453181
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -37.411
flat angles C4'-P-C4' energy: -35.014
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -23.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -290.604501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.604501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.604501 (E_RNA)
where:
Base-Base interactions energy: -155.330
where: short stacking energy: -83.009
Base-Backbone interact. energy: 0.016
local terms energy: -135.290856
where:
bonds (distance) C4'-P energy: -40.735
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -14.229
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: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -183.598646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.598646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.598646 (E_RNA)
where:
Base-Base interactions energy: -84.697
where: short stacking energy: -53.570
Base-Backbone interact. energy: 0.219
local terms energy: -99.120586
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -7.426
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: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -165.127558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.127558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.127558 (E_RNA)
where:
Base-Base interactions energy: -72.290
where: short stacking energy: -56.682
Base-Backbone interact. energy: -0.272
local terms energy: -92.565614
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: 3.957
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: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -542.633906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.633906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.633906 (E_RNA)
where:
Base-Base interactions energy: -376.100
where: short stacking energy: -143.767
Base-Backbone interact. energy: 1.363
local terms energy: -167.897393
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -41.654
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -36.206
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: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -597.515032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.515032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.515032 (E_RNA)
where:
Base-Base interactions energy: -420.379
where: short stacking energy: -161.311
Base-Backbone interact. energy: -0.984
local terms energy: -176.151695
where:
bonds (distance) C4'-P energy: -36.821
bonds (distance) P-C4' energy: -32.684
flat angles C4'-P-C4' energy: -33.146
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -48.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -524.644246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.644246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.644246 (E_RNA)
where:
Base-Base interactions energy: -354.688
where: short stacking energy: -137.844
Base-Backbone interact. energy: 0.821
local terms energy: -170.777642
where:
bonds (distance) C4'-P energy: -35.908
bonds (distance) P-C4' energy: -32.305
flat angles C4'-P-C4' energy: -36.993
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -47.391
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: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -565.682722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.682722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.682722 (E_RNA)
where:
Base-Base interactions energy: -393.450
where: short stacking energy: -150.495
Base-Backbone interact. energy: -1.006
local terms energy: -171.227365
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -33.580
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -45.294
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: 479
Temperature: 1.100000
Total energy: -517.677718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.677718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.677718 (E_RNA)
where:
Base-Base interactions energy: -349.613
where: short stacking energy: -149.548
Base-Backbone interact. energy: -0.935
local terms energy: -167.129647
where:
bonds (distance) C4'-P energy: -35.192
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -38.645
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -43.780
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: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -355.670521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.670521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.670521 (E_RNA)
where:
Base-Base interactions energy: -208.108
where: short stacking energy: -110.884
Base-Backbone interact. energy: -0.236
local terms energy: -147.327198
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -36.072
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -19.952
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: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -320.548061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.548061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.548061 (E_RNA)
where:
Base-Base interactions energy: -194.109
where: short stacking energy: -87.145
Base-Backbone interact. energy: -2.964
local terms energy: -124.059091
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.584 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -241.988137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.988137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.988137 (E_RNA)
where:
Base-Base interactions energy: -133.717
where: short stacking energy: -57.818
Base-Backbone interact. energy: -1.244
local terms energy: -107.027469
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: 1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -183.609441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.609441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.609441 (E_RNA)
where:
Base-Base interactions energy: -78.029
where: short stacking energy: -43.567
Base-Backbone interact. energy: -0.906
local terms energy: -104.673951
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -168.781953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.781953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.781953 (E_RNA)
where:
Base-Base interactions energy: -58.941
where: short stacking energy: -47.820
Base-Backbone interact. energy: -0.422
local terms energy: -109.418559
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -33.610
flat angles C4'-P-C4' energy: -28.803
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: 2.749
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: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -571.172087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.172087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.172087 (E_RNA)
where:
Base-Base interactions energy: -395.475
where: short stacking energy: -159.764
Base-Backbone interact. energy: -0.671
local terms energy: -175.026128
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -38.499
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -44.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -537.408087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.408087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.408087 (E_RNA)
where:
Base-Base interactions energy: -369.875
where: short stacking energy: -142.412
Base-Backbone interact. energy: -0.912
local terms energy: -167.204466
where:
bonds (distance) C4'-P energy: -34.213
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -37.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.583 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -557.321423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.321423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.321423 (E_RNA)
where:
Base-Base interactions energy: -385.175
where: short stacking energy: -157.571
Base-Backbone interact. energy: -0.409
local terms energy: -171.737857
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -23.939
tors. eta vs tors. theta energy: -49.706
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: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -515.686635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.686635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.686635 (E_RNA)
where:
Base-Base interactions energy: -373.814
where: short stacking energy: -142.676
Base-Backbone interact. energy: 1.456
local terms energy: -143.328138
where:
bonds (distance) C4'-P energy: -33.669
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: -36.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -438.412923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.412923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.412923 (E_RNA)
where:
Base-Base interactions energy: -290.896
where: short stacking energy: -113.552
Base-Backbone interact. energy: -1.049
local terms energy: -146.467842
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -39.359
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -24.144
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: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -329.853073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.853073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.853073 (E_RNA)
where:
Base-Base interactions energy: -191.975
where: short stacking energy: -80.523
Base-Backbone interact. energy: 0.650
local terms energy: -138.527963
where:
bonds (distance) C4'-P energy: -38.735
bonds (distance) P-C4' energy: -32.511
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -12.092
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: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -335.318659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.318659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.318659 (E_RNA)
where:
Base-Base interactions energy: -204.634
where: short stacking energy: -98.175
Base-Backbone interact. energy: -0.344
local terms energy: -130.340271
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -39.386
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -244.532401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.532401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.532401 (E_RNA)
where:
Base-Base interactions energy: -146.556
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.892
local terms energy: -97.084613
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -37.072
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: 0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -174.072473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.072473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.072473 (E_RNA)
where:
Base-Base interactions energy: -81.367
where: short stacking energy: -49.190
Base-Backbone interact. energy: 1.302
local terms energy: -94.007833
where:
bonds (distance) C4'-P energy: -24.869
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: 8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -160.376285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.376285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.376285 (E_RNA)
where:
Base-Base interactions energy: -50.354
where: short stacking energy: -47.348
Base-Backbone interact. energy: -0.456
local terms energy: -110.262406
where:
bonds (distance) C4'-P energy: -35.800
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.696 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -594.805428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.805428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.805428 (E_RNA)
where:
Base-Base interactions energy: -410.036
where: short stacking energy: -173.821
Base-Backbone interact. energy: 2.732
local terms energy: -187.501623
where:
bonds (distance) C4'-P energy: -34.615
bonds (distance) P-C4' energy: -39.736
flat angles C4'-P-C4' energy: -38.472
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -50.227
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: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -593.087219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.087219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.087219 (E_RNA)
where:
Base-Base interactions energy: -400.112
where: short stacking energy: -160.832
Base-Backbone interact. energy: -0.447
local terms energy: -192.528338
where:
bonds (distance) C4'-P energy: -34.735
bonds (distance) P-C4' energy: -41.650
flat angles C4'-P-C4' energy: -36.558
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -48.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -531.592364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.592364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.592364 (E_RNA)
where:
Base-Base interactions energy: -357.490
where: short stacking energy: -146.179
Base-Backbone interact. energy: 0.073
local terms energy: -174.424077
where:
bonds (distance) C4'-P energy: -33.061
bonds (distance) P-C4' energy: -32.625
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -40.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.248 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -524.882634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.882634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.882634 (E_RNA)
where:
Base-Base interactions energy: -369.592
where: short stacking energy: -138.714
Base-Backbone interact. energy: -2.163
local terms energy: -153.127512
where:
bonds (distance) C4'-P energy: -33.009
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -35.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -483.158303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.158303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.158303 (E_RNA)
where:
Base-Base interactions energy: -334.801
where: short stacking energy: -125.212
Base-Backbone interact. energy: 0.913
local terms energy: -149.271234
where:
bonds (distance) C4'-P energy: -29.046
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -17.344
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: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -348.827236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.827236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.827236 (E_RNA)
where:
Base-Base interactions energy: -212.515
where: short stacking energy: -111.753
Base-Backbone interact. energy: -1.181
local terms energy: -135.130792
where:
bonds (distance) C4'-P energy: -34.439
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -317.453299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.453299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.453299 (E_RNA)
where:
Base-Base interactions energy: -183.345
where: short stacking energy: -81.920
Base-Backbone interact. energy: 1.174
local terms energy: -135.512592
where:
bonds (distance) C4'-P energy: -35.700
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -33.586
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.230 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -177.791301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.791301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.791301 (E_RNA)
where:
Base-Base interactions energy: -82.648
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.611
local terms energy: -94.532814
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -26.593
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -3.887
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: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -242.714903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.714903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.714903 (E_RNA)
where:
Base-Base interactions energy: -124.077
where: short stacking energy: -65.294
Base-Backbone interact. energy: 1.352
local terms energy: -119.990050
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -161.795833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.795833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.795833 (E_RNA)
where:
Base-Base interactions energy: -53.062
where: short stacking energy: -46.069
Base-Backbone interact. energy: -0.324
local terms energy: -108.409055
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: 2.168
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: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -594.201400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.201400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.201400 (E_RNA)
where:
Base-Base interactions energy: -413.077
where: short stacking energy: -159.870
Base-Backbone interact. energy: -2.339
local terms energy: -178.785568
where:
bonds (distance) C4'-P energy: -31.002
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -38.468
flat angles P-C4'-P energy: -28.965
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: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -575.751357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.751357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.751357 (E_RNA)
where:
Base-Base interactions energy: -384.908
where: short stacking energy: -144.404
Base-Backbone interact. energy: -0.676
local terms energy: -190.167870
where:
bonds (distance) C4'-P energy: -39.245
bonds (distance) P-C4' energy: -39.869
flat angles C4'-P-C4' energy: -39.293
flat angles P-C4'-P energy: -28.515
tors. eta vs tors. theta energy: -43.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -569.782240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.782240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.782240 (E_RNA)
where:
Base-Base interactions energy: -402.012
where: short stacking energy: -156.689
Base-Backbone interact. energy: -0.281
local terms energy: -167.489409
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -32.434
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -42.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -510.295628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.295628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.295628 (E_RNA)
where:
Base-Base interactions energy: -366.533
where: short stacking energy: -137.822
Base-Backbone interact. energy: 1.147
local terms energy: -144.909473
where:
bonds (distance) C4'-P energy: -32.590
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -31.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -479.356459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.356459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.356459 (E_RNA)
where:
Base-Base interactions energy: -312.148
where: short stacking energy: -124.770
Base-Backbone interact. energy: -1.218
local terms energy: -166.303846
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -37.550
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -32.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.313 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -328.959262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.959262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.959262 (E_RNA)
where:
Base-Base interactions energy: -181.352
where: short stacking energy: -90.346
Base-Backbone interact. energy: -1.327
local terms energy: -146.280119
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -28.047
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -320.933172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.933172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.933172 (E_RNA)
where:
Base-Base interactions energy: -173.513
where: short stacking energy: -87.934
Base-Backbone interact. energy: 0.887
local terms energy: -148.307730
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -22.447
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -196.107727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.107727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.107727 (E_RNA)
where:
Base-Base interactions energy: -87.792
where: short stacking energy: -43.754
Base-Backbone interact. energy: 4.625
local terms energy: -112.940198
where:
bonds (distance) C4'-P energy: -33.435
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: 3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -241.607520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.607520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.607520 (E_RNA)
where:
Base-Base interactions energy: -125.509
where: short stacking energy: -61.528
Base-Backbone interact. energy: 0.711
local terms energy: -117.374476
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -26.907
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.564 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -167.229397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.229397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.229397 (E_RNA)
where:
Base-Base interactions energy: -69.266
where: short stacking energy: -49.152
Base-Backbone interact. energy: 3.596
local terms energy: -101.559414
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -16.966
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: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -610.790012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.790012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.790012 (E_RNA)
where:
Base-Base interactions energy: -425.898
where: short stacking energy: -178.014
Base-Backbone interact. energy: -1.310
local terms energy: -183.581641
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -40.869
flat angles P-C4'-P energy: -29.447
tors. eta vs tors. theta energy: -44.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -573.043710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.043710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.043710 (E_RNA)
where:
Base-Base interactions energy: -394.643
where: short stacking energy: -158.376
Base-Backbone interact. energy: -1.236
local terms energy: -177.164325
where:
bonds (distance) C4'-P energy: -36.219
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -40.058
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -44.034
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: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -574.443378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.443378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.443378 (E_RNA)
where:
Base-Base interactions energy: -402.995
where: short stacking energy: -160.845
Base-Backbone interact. energy: -1.940
local terms energy: -169.508249
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -37.650
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -47.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -530.931542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.931542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.931542 (E_RNA)
where:
Base-Base interactions energy: -372.594
where: short stacking energy: -142.688
Base-Backbone interact. energy: -1.951
local terms energy: -156.386565
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -38.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -469.957278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.957278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.957278 (E_RNA)
where:
Base-Base interactions energy: -321.164
where: short stacking energy: -122.497
Base-Backbone interact. energy: -0.528
local terms energy: -148.264841
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -38.396
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -31.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -325.938172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.938172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.938172 (E_RNA)
where:
Base-Base interactions energy: -194.853
where: short stacking energy: -97.667
Base-Backbone interact. energy: -0.022
local terms energy: -131.063228
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -30.521
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -325.664649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.664649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.664649 (E_RNA)
where:
Base-Base interactions energy: -189.804
where: short stacking energy: -86.871
Base-Backbone interact. energy: -0.420
local terms energy: -135.440335
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -42.793
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -246.276572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.276572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.276572 (E_RNA)
where:
Base-Base interactions energy: -139.704
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.902
local terms energy: -105.670984
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -11.365
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -178.485939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.485939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.485939 (E_RNA)
where:
Base-Base interactions energy: -64.688
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.134
local terms energy: -113.663740
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -171.935584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.935584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.935584 (E_RNA)
where:
Base-Base interactions energy: -64.256
where: short stacking energy: -37.852
Base-Backbone interact. energy: -0.118
local terms energy: -109.593491
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: 6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.032 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -603.366045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.366045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.366045 (E_RNA)
where:
Base-Base interactions energy: -426.984
where: short stacking energy: -164.445
Base-Backbone interact. energy: 0.227
local terms energy: -176.775523
where:
bonds (distance) C4'-P energy: -29.924
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -28.772
tors. eta vs tors. theta energy: -48.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.166 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -553.307761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.307761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.307761 (E_RNA)
where:
Base-Base interactions energy: -388.998
where: short stacking energy: -154.030
Base-Backbone interact. energy: -1.675
local terms energy: -162.634865
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -36.278
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -36.201
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: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -562.482326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.482326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.482326 (E_RNA)
where:
Base-Base interactions energy: -390.835
where: short stacking energy: -136.622
Base-Backbone interact. energy: -1.683
local terms energy: -169.963513
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -38.349
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -21.000
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: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -518.005282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.005282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.005282 (E_RNA)
where:
Base-Base interactions energy: -351.839
where: short stacking energy: -146.238
Base-Backbone interact. energy: -0.261
local terms energy: -165.905349
where:
bonds (distance) C4'-P energy: -34.904
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -36.474
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -38.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -461.341381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.341381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.341381 (E_RNA)
where:
Base-Base interactions energy: -294.991
where: short stacking energy: -123.696
Base-Backbone interact. energy: -1.105
local terms energy: -165.244707
where:
bonds (distance) C4'-P energy: -32.480
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -35.632
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -37.443
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: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -325.860441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.860441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.860441 (E_RNA)
where:
Base-Base interactions energy: -195.978
where: short stacking energy: -95.021
Base-Backbone interact. energy: -0.550
local terms energy: -129.486136
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -37.449
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.154 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -342.948642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.948642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.948642 (E_RNA)
where:
Base-Base interactions energy: -215.770
where: short stacking energy: -95.470
Base-Backbone interact. energy: -0.479
local terms energy: -126.700312
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -36.554
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -261.624630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.624630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.624630 (E_RNA)
where:
Base-Base interactions energy: -148.420
where: short stacking energy: -69.992
Base-Backbone interact. energy: -1.093
local terms energy: -112.111537
where:
bonds (distance) C4'-P energy: -33.434
bonds (distance) P-C4' energy: -33.691
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -202.481336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.481336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.481336 (E_RNA)
where:
Base-Base interactions energy: -83.769
where: short stacking energy: -38.692
Base-Backbone interact. energy: -0.748
local terms energy: -117.963586
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -1.607
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: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -151.031014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.031014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.031014 (E_RNA)
where:
Base-Base interactions energy: -59.638
where: short stacking energy: -44.513
Base-Backbone interact. energy: -0.798
local terms energy: -90.594760
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: 2.225
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)
out arg RESULTS//1/25bp-f1290b3c_01
DONE
DONE