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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2LUP_RNAonly_SimRNA-7e9e22b2/inputs/seq.fa: 1
curr_seq: _GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAUACCAUGUUCAGAAGAACGUGGUAUCUC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
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: 1
Temperature: 1.150000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -119.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650925 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -0.852
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -194.688631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.688631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.688631 (E_RNA)
where:
Base-Base interactions energy: -92.537
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.024
local terms energy: -102.127942
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -180.971717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.971717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.971717 (E_RNA)
where:
Base-Base interactions energy: -82.327
where: short stacking energy: -82.327
Base-Backbone interact. energy: -0.122
local terms energy: -98.523483
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -168.340112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.340112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.340112 (E_RNA)
where:
Base-Base interactions energy: -67.869
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.076
local terms energy: -100.395896
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -18.565
tors. eta vs tors. theta energy: -20.955
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -165.774436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.774436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.774436 (E_RNA)
where:
Base-Base interactions energy: -69.897
where: short stacking energy: -68.001
Base-Backbone interact. energy: 0.046
local terms energy: -95.923581
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -143.379916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.379916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.379916 (E_RNA)
where:
Base-Base interactions energy: -59.572
where: short stacking energy: -59.417
Base-Backbone interact. energy: 1.099
local terms energy: -84.907662
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -137.184230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.184230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.184230 (E_RNA)
where:
Base-Base interactions energy: -57.042
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.002
local terms energy: -80.139494
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -130.126850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.126850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.126850 (E_RNA)
where:
Base-Base interactions energy: -54.032
where: short stacking energy: -54.032
Base-Backbone interact. energy: -0.810
local terms energy: -75.284867
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -145.557769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.557769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.557769 (E_RNA)
where:
Base-Base interactions energy: -67.592
where: short stacking energy: -38.966
Base-Backbone interact. energy: -0.684
local terms energy: -77.281569
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: 1.185
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -120.384283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.384283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.384283 (E_RNA)
where:
Base-Base interactions energy: -4.997
where: short stacking energy: -4.997
Base-Backbone interact. energy: -0.000
local terms energy: -115.387613
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -26.754
tors. eta vs tors. theta energy: -7.774
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -120.487814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.487814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.487814 (E_RNA)
where:
Base-Base interactions energy: -5.100
where: short stacking energy: -5.100
Base-Backbone interact. energy: -0.000
local terms energy: -115.387613
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -26.754
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -213.599544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.599544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.599544 (E_RNA)
where:
Base-Base interactions energy: -121.634
where: short stacking energy: -72.780
Base-Backbone interact. energy: 0.245
local terms energy: -92.210073
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -11.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -203.308133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.308133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.308133 (E_RNA)
where:
Base-Base interactions energy: -105.789
where: short stacking energy: -64.809
Base-Backbone interact. energy: -0.110
local terms energy: -97.409395
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -169.489613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.489613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.489613 (E_RNA)
where:
Base-Base interactions energy: -86.985
where: short stacking energy: -51.781
Base-Backbone interact. energy: -0.178
local terms energy: -82.325843
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -5.341
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -160.371114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.371114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.371114 (E_RNA)
where:
Base-Base interactions energy: -82.399
where: short stacking energy: -48.679
Base-Backbone interact. energy: -2.716
local terms energy: -75.255908
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -10.520
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -145.035318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.035318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.035318 (E_RNA)
where:
Base-Base interactions energy: -68.130
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.166
local terms energy: -76.739651
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -6.781
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -182.360739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.360739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.360739 (E_RNA)
where:
Base-Base interactions energy: -100.673
where: short stacking energy: -58.926
Base-Backbone interact. energy: 0.681
local terms energy: -82.368835
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -12.734
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -181.347168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.347168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.347168 (E_RNA)
where:
Base-Base interactions energy: -101.771
where: short stacking energy: -45.858
Base-Backbone interact. energy: -0.488
local terms energy: -79.088084
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -114.094815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.094815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.094815 (E_RNA)
where:
Base-Base interactions energy: -45.455
where: short stacking energy: -38.042
Base-Backbone interact. energy: 0.428
local terms energy: -69.067312
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -0.457
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: 3
Temperature: 1.300000
Total energy: -126.087315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.087315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.087315 (E_RNA)
where:
Base-Base interactions energy: -53.305
where: short stacking energy: -25.087
Base-Backbone interact. energy: -1.187
local terms energy: -71.595235
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: 2.317
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -111.963946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.963946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.963946 (E_RNA)
where:
Base-Base interactions energy: -48.854
where: short stacking energy: -44.152
Base-Backbone interact. energy: 2.752
local terms energy: -65.862176
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -277.420801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.420801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.420801 (E_RNA)
where:
Base-Base interactions energy: -181.558
where: short stacking energy: -72.421
Base-Backbone interact. energy: 0.434
local terms energy: -96.297024
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -224.248551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.248551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.248551 (E_RNA)
where:
Base-Base interactions energy: -129.676
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.992
local terms energy: -93.580375
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -19.876
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: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -184.820234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.820234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.820234 (E_RNA)
where:
Base-Base interactions energy: -91.673
where: short stacking energy: -72.859
Base-Backbone interact. energy: -0.263
local terms energy: -92.884300
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -170.666193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.666193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.666193 (E_RNA)
where:
Base-Base interactions energy: -80.519
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.591
local terms energy: -89.555897
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -17.143
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -184.948314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.948314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.948314 (E_RNA)
where:
Base-Base interactions energy: -112.455
where: short stacking energy: -45.487
Base-Backbone interact. energy: -1.141
local terms energy: -71.351980
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -2.869
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -148.676019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.676019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.676019 (E_RNA)
where:
Base-Base interactions energy: -70.857
where: short stacking energy: -41.193
Base-Backbone interact. energy: 1.284
local terms energy: -79.102379
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -243.099303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.099303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.099303 (E_RNA)
where:
Base-Base interactions energy: -150.671
where: short stacking energy: -68.904
Base-Backbone interact. energy: 0.693
local terms energy: -93.120994
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -12.783
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: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -123.964244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.964244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.964244 (E_RNA)
where:
Base-Base interactions energy: -52.315
where: short stacking energy: -42.947
Base-Backbone interact. energy: -0.182
local terms energy: -71.466767
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -9.525
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -116.034666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.034666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.034666 (E_RNA)
where:
Base-Base interactions energy: -52.838
where: short stacking energy: -41.771
Base-Backbone interact. energy: 1.171
local terms energy: -64.367858
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -106.302811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.302811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.302811 (E_RNA)
where:
Base-Base interactions energy: -44.739
where: short stacking energy: -36.078
Base-Backbone interact. energy: 0.559
local terms energy: -62.123012
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -4.846
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -300.935868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.935868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.935868 (E_RNA)
where:
Base-Base interactions energy: -199.267
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.537
local terms energy: -101.131860
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -19.532
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: 5
Temperature: 0.950000
Total energy: -256.880274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.880274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.880274 (E_RNA)
where:
Base-Base interactions energy: -146.098
where: short stacking energy: -87.623
Base-Backbone interact. energy: -0.303
local terms energy: -110.479218
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -22.653
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: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -230.691732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.691732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.691732 (E_RNA)
where:
Base-Base interactions energy: -134.299
where: short stacking energy: -66.693
Base-Backbone interact. energy: -2.466
local terms energy: -93.927040
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -14.951
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -184.571501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.571501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.571501 (E_RNA)
where:
Base-Base interactions energy: -104.062
where: short stacking energy: -57.214
Base-Backbone interact. energy: -1.211
local terms energy: -79.298473
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -3.727
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: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -172.613532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.613532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.613532 (E_RNA)
where:
Base-Base interactions energy: -85.755
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.080
local terms energy: -86.778593
where:
bonds (distance) C4'-P energy: -24.418
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -357.067253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.067253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.067253 (E_RNA)
where:
Base-Base interactions energy: -267.033
where: short stacking energy: -108.399
Base-Backbone interact. energy: -0.223
local terms energy: -89.810942
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -28.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -162.231578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.231578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.231578 (E_RNA)
where:
Base-Base interactions energy: -84.181
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.749
local terms energy: -77.301653
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -146.762644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.762644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.762644 (E_RNA)
where:
Base-Base interactions energy: -73.424
where: short stacking energy: -50.181
Base-Backbone interact. energy: -0.571
local terms energy: -72.768322
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -9.772
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: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -110.763281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.763281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.763281 (E_RNA)
where:
Base-Base interactions energy: -46.774
where: short stacking energy: -41.900
Base-Backbone interact. energy: 1.247
local terms energy: -65.236633
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -14.065
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: 5
Temperature: 1.350000
Total energy: -104.553469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.553469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.553469 (E_RNA)
where:
Base-Base interactions energy: -48.493
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.578
local terms energy: -55.482865
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: 5.223
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: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -307.868858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.868858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.868858 (E_RNA)
where:
Base-Base interactions energy: -214.262
where: short stacking energy: -81.095
Base-Backbone interact. energy: 0.173
local terms energy: -93.779734
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -20.752
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -250.728025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.728025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.728025 (E_RNA)
where:
Base-Base interactions energy: -151.675
where: short stacking energy: -76.681
Base-Backbone interact. energy: -0.195
local terms energy: -98.857747
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -237.724527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.724527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.724527 (E_RNA)
where:
Base-Base interactions energy: -141.792
where: short stacking energy: -68.097
Base-Backbone interact. energy: -1.690
local terms energy: -94.243167
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -203.225552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.225552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.225552 (E_RNA)
where:
Base-Base interactions energy: -101.955
where: short stacking energy: -64.227
Base-Backbone interact. energy: -1.341
local terms energy: -99.929681
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -14.746
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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -392.441164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.441164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.441164 (E_RNA)
where:
Base-Base interactions energy: -287.246
where: short stacking energy: -115.320
Base-Backbone interact. energy: -0.418
local terms energy: -104.777596
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -29.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -141.828272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.828272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.828272 (E_RNA)
where:
Base-Base interactions energy: -63.161
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.061
local terms energy: -78.606647
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -143.578923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.578923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.578923 (E_RNA)
where:
Base-Base interactions energy: -54.867
where: short stacking energy: -52.942
Base-Backbone interact. energy: -0.172
local terms energy: -88.539875
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -26.328
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -13.892
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: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -115.406033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.406033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.406033 (E_RNA)
where:
Base-Base interactions energy: -45.801
where: short stacking energy: -45.756
Base-Backbone interact. energy: 4.104
local terms energy: -73.708862
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -128.450802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.450802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.450802 (E_RNA)
where:
Base-Base interactions energy: -52.336
where: short stacking energy: -42.194
Base-Backbone interact. energy: 0.381
local terms energy: -76.496404
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.805
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: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -105.612318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.612318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.612318 (E_RNA)
where:
Base-Base interactions energy: -25.311
where: short stacking energy: -25.311
Base-Backbone interact. energy: -0.283
local terms energy: -80.017902
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -2.976
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -328.866285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.866285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.866285 (E_RNA)
where:
Base-Base interactions energy: -226.235
where: short stacking energy: -84.677
Base-Backbone interact. energy: -0.732
local terms energy: -101.900156
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -12.910
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: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -249.708158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.708158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.708158 (E_RNA)
where:
Base-Base interactions energy: -147.774
where: short stacking energy: -75.061
Base-Backbone interact. energy: -0.516
local terms energy: -101.418870
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -17.821
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: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -230.780888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.780888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.780888 (E_RNA)
where:
Base-Base interactions energy: -140.054
where: short stacking energy: -68.492
Base-Backbone interact. energy: -0.031
local terms energy: -90.695446
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -12.411
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: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -393.874554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.874554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.874554 (E_RNA)
where:
Base-Base interactions energy: -290.867
where: short stacking energy: -119.622
Base-Backbone interact. energy: -0.007
local terms energy: -103.000443
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -30.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -199.625219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.625219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.625219 (E_RNA)
where:
Base-Base interactions energy: -112.480
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.871
local terms energy: -86.273961
where:
bonds (distance) C4'-P energy: -21.747
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -12.738
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: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -162.852389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.852389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.852389 (E_RNA)
where:
Base-Base interactions energy: -93.827
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.530
local terms energy: -68.494786
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -140.837264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.837264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.837264 (E_RNA)
where:
Base-Base interactions energy: -67.575
where: short stacking energy: -48.579
Base-Backbone interact. energy: 0.300
local terms energy: -73.561988
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -132.175351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.175351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.175351 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -42.862
Base-Backbone interact. energy: 1.172
local terms energy: -86.710808
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -137.384093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.384093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.384093 (E_RNA)
where:
Base-Base interactions energy: -79.045
where: short stacking energy: -31.509
Base-Backbone interact. energy: 0.335
local terms energy: -58.674962
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: 6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -112.004511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.004511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.004511 (E_RNA)
where:
Base-Base interactions energy: -31.279
where: short stacking energy: -31.279
Base-Backbone interact. energy: -0.306
local terms energy: -80.419218
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -6.448
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -330.888065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.888065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.888065 (E_RNA)
where:
Base-Base interactions energy: -226.525
where: short stacking energy: -86.127
Base-Backbone interact. energy: -0.339
local terms energy: -104.024177
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -273.794726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.794726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.794726 (E_RNA)
where:
Base-Base interactions energy: -176.004
where: short stacking energy: -80.797
Base-Backbone interact. energy: -1.350
local terms energy: -96.440499
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -15.658
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: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -397.029532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.029532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.029532 (E_RNA)
where:
Base-Base interactions energy: -279.716
where: short stacking energy: -109.224
Base-Backbone interact. energy: -0.642
local terms energy: -116.671494
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -32.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -209.448752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.448752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.448752 (E_RNA)
where:
Base-Base interactions energy: -120.218
where: short stacking energy: -74.449
Base-Backbone interact. energy: -1.198
local terms energy: -88.032531
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -202.080887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.080887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.080887 (E_RNA)
where:
Base-Base interactions energy: -111.223
where: short stacking energy: -61.260
Base-Backbone interact. energy: 0.847
local terms energy: -91.704696
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -19.008
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: 8
Temperature: 1.150000
Total energy: -151.434404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.434404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.434404 (E_RNA)
where:
Base-Base interactions energy: -60.463
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.383
local terms energy: -90.587505
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -16.664
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: 7, replica: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -139.381037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.381037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.381037 (E_RNA)
where:
Base-Base interactions energy: -69.437
where: short stacking energy: -39.358
Base-Backbone interact. energy: -0.170
local terms energy: -69.773948
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -125.113535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.113535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.113535 (E_RNA)
where:
Base-Base interactions energy: -47.828
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.104
local terms energy: -77.181753
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -0.286
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: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -174.401718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.401718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.401718 (E_RNA)
where:
Base-Base interactions energy: -99.271
where: short stacking energy: -52.283
Base-Backbone interact. energy: -1.063
local terms energy: -74.067390
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -6.167
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: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -115.618428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.618428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.618428 (E_RNA)
where:
Base-Base interactions energy: -47.359
where: short stacking energy: -43.108
Base-Backbone interact. energy: -0.227
local terms energy: -68.032935
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -352.445956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.445956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.445956 (E_RNA)
where:
Base-Base interactions energy: -243.025
where: short stacking energy: -98.638
Base-Backbone interact. energy: -1.496
local terms energy: -107.924761
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -410.333309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.333309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.333309 (E_RNA)
where:
Base-Base interactions energy: -292.267
where: short stacking energy: -119.113
Base-Backbone interact. energy: -0.011
local terms energy: -118.054587
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -30.959
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: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -282.636510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.636510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.636510 (E_RNA)
where:
Base-Base interactions energy: -201.388
where: short stacking energy: -79.920
Base-Backbone interact. energy: -0.012
local terms energy: -81.236487
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -22.826
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -17.849
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: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -212.024825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.024825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.024825 (E_RNA)
where:
Base-Base interactions energy: -119.571
where: short stacking energy: -71.731
Base-Backbone interact. energy: -0.734
local terms energy: -91.720226
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -15.288
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: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -192.876444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.876444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.876444 (E_RNA)
where:
Base-Base interactions energy: -104.501
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.190
local terms energy: -88.184965
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -121.373815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.373815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.373815 (E_RNA)
where:
Base-Base interactions energy: -48.783
where: short stacking energy: -33.757
Base-Backbone interact. energy: -0.694
local terms energy: -71.896831
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: 0.353
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: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -186.683642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.683642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.683642 (E_RNA)
where:
Base-Base interactions energy: -100.635
where: short stacking energy: -34.203
Base-Backbone interact. energy: -1.204
local terms energy: -84.844567
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -160.878391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.878391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.878391 (E_RNA)
where:
Base-Base interactions energy: -83.935
where: short stacking energy: -46.352
Base-Backbone interact. energy: -0.332
local terms energy: -76.611775
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -13.018
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: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -106.716539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.716539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.716539 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -31.774
Base-Backbone interact. energy: 0.113
local terms energy: -74.514603
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -10.864
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -104.723536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.723536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.723536 (E_RNA)
where:
Base-Base interactions energy: -39.753
where: short stacking energy: -27.295
Base-Backbone interact. energy: -1.055
local terms energy: -63.915696
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -413.885561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.885561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.885561 (E_RNA)
where:
Base-Base interactions energy: -293.853
where: short stacking energy: -116.327
Base-Backbone interact. energy: -0.088
local terms energy: -119.944714
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -30.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -360.363273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.363273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.363273 (E_RNA)
where:
Base-Base interactions energy: -247.256
where: short stacking energy: -91.412
Base-Backbone interact. energy: -0.082
local terms energy: -113.024501
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -258.124635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.124635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.124635 (E_RNA)
where:
Base-Base interactions energy: -167.153
where: short stacking energy: -68.900
Base-Backbone interact. energy: -1.350
local terms energy: -89.621672
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -235.779876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.779876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.779876 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -74.280
Base-Backbone interact. energy: -0.612
local terms energy: -97.045156
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -177.258629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.258629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.258629 (E_RNA)
where:
Base-Base interactions energy: -82.983
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.766
local terms energy: -93.509517
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -146.555770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.555770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.555770 (E_RNA)
where:
Base-Base interactions energy: -69.008
where: short stacking energy: -52.366
Base-Backbone interact. energy: 0.078
local terms energy: -77.625128
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -7.320
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: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -167.025544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.025544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.025544 (E_RNA)
where:
Base-Base interactions energy: -80.742
where: short stacking energy: -50.401
Base-Backbone interact. energy: -0.199
local terms energy: -86.084430
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -131.411562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.411562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.411562 (E_RNA)
where:
Base-Base interactions energy: -51.145
where: short stacking energy: -38.201
Base-Backbone interact. energy: -0.647
local terms energy: -79.618967
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -107.078657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.078657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.078657 (E_RNA)
where:
Base-Base interactions energy: -39.867
where: short stacking energy: -35.720
Base-Backbone interact. energy: -0.235
local terms energy: -66.976528
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -1.606
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: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -102.943900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.943900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.943900 (E_RNA)
where:
Base-Base interactions energy: -34.651
where: short stacking energy: -27.874
Base-Backbone interact. energy: -0.678
local terms energy: -67.614102
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -411.046481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.046481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.046481 (E_RNA)
where:
Base-Base interactions energy: -292.919
where: short stacking energy: -116.342
Base-Backbone interact. energy: -0.016
local terms energy: -118.111337
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -30.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -346.330786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.330786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.330786 (E_RNA)
where:
Base-Base interactions energy: -247.382
where: short stacking energy: -97.744
Base-Backbone interact. energy: -0.051
local terms energy: -98.897801
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -265.970843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.970843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.970843 (E_RNA)
where:
Base-Base interactions energy: -170.543
where: short stacking energy: -70.204
Base-Backbone interact. energy: -1.503
local terms energy: -93.924806
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -221.718958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.718958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.718958 (E_RNA)
where:
Base-Base interactions energy: -135.972
where: short stacking energy: -77.549
Base-Backbone interact. energy: -0.750
local terms energy: -84.997172
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -17.962
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: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -179.680324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.680324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.680324 (E_RNA)
where:
Base-Base interactions energy: -93.873
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.343
local terms energy: -85.463987
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -170.885772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.885772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.885772 (E_RNA)
where:
Base-Base interactions energy: -86.503
where: short stacking energy: -55.916
Base-Backbone interact. energy: -0.358
local terms energy: -84.024564
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -12.110
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: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -140.985065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.985065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.985065 (E_RNA)
where:
Base-Base interactions energy: -72.764
where: short stacking energy: -34.967
Base-Backbone interact. energy: -0.247
local terms energy: -67.973402
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -0.481
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -132.704986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.704986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.704986 (E_RNA)
where:
Base-Base interactions energy: -44.275
where: short stacking energy: -34.674
Base-Backbone interact. energy: 1.468
local terms energy: -89.898167
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -119.392465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.392465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.392465 (E_RNA)
where:
Base-Base interactions energy: -50.627
where: short stacking energy: -35.409
Base-Backbone interact. energy: -0.393
local terms energy: -68.372756
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -9.976
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -103.463551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.463551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.463551 (E_RNA)
where:
Base-Base interactions energy: -29.243
where: short stacking energy: -27.295
Base-Backbone interact. energy: -0.132
local terms energy: -74.088817
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: 2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -410.512656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.512656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.512656 (E_RNA)
where:
Base-Base interactions energy: -289.075
where: short stacking energy: -119.784
Base-Backbone interact. energy: -0.184
local terms energy: -121.253079
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -29.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -355.505595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.505595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.505595 (E_RNA)
where:
Base-Base interactions energy: -255.072
where: short stacking energy: -101.752
Base-Backbone interact. energy: -0.340
local terms energy: -100.093658
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -24.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -277.155440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.155440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.155440 (E_RNA)
where:
Base-Base interactions energy: -176.320
where: short stacking energy: -79.862
Base-Backbone interact. energy: -2.490
local terms energy: -98.345155
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -204.859263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.859263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.859263 (E_RNA)
where:
Base-Base interactions energy: -109.477
where: short stacking energy: -72.775
Base-Backbone interact. energy: -1.997
local terms energy: -93.385518
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -185.547646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.547646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.547646 (E_RNA)
where:
Base-Base interactions energy: -105.809
where: short stacking energy: -58.611
Base-Backbone interact. energy: -0.124
local terms energy: -79.615299
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -8.574
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: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -143.732476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.732476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.732476 (E_RNA)
where:
Base-Base interactions energy: -66.634
where: short stacking energy: -36.727
Base-Backbone interact. energy: -0.973
local terms energy: -76.125843
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -133.135475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.135475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.135475 (E_RNA)
where:
Base-Base interactions energy: -47.964
where: short stacking energy: -44.734
Base-Backbone interact. energy: -0.333
local terms energy: -84.838338
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -4.702
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: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -117.294242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.294242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.294242 (E_RNA)
where:
Base-Base interactions energy: -53.958
where: short stacking energy: -42.199
Base-Backbone interact. energy: -0.068
local terms energy: -63.267847
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -108.951729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.951729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.951729 (E_RNA)
where:
Base-Base interactions energy: -43.279
where: short stacking energy: -30.920
Base-Backbone interact. energy: -0.319
local terms energy: -65.353650
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -104.915414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.915414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.915414 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -36.642
Base-Backbone interact. energy: -0.732
local terms energy: -61.213468
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: 1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -416.802945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.802945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.802945 (E_RNA)
where:
Base-Base interactions energy: -295.147
where: short stacking energy: -126.452
Base-Backbone interact. energy: -0.014
local terms energy: -121.641846
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -33.754
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: 13
Temperature: 0.950000
Total energy: -355.940772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.940772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.940772 (E_RNA)
where:
Base-Base interactions energy: -256.657
where: short stacking energy: -100.210
Base-Backbone interact. energy: -0.501
local terms energy: -98.782478
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -16.661
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: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -262.659135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.659135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.659135 (E_RNA)
where:
Base-Base interactions energy: -168.685
where: short stacking energy: -83.685
Base-Backbone interact. energy: -1.011
local terms energy: -92.962504
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -225.120459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.120459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.120459 (E_RNA)
where:
Base-Base interactions energy: -135.501
where: short stacking energy: -53.928
Base-Backbone interact. energy: -1.525
local terms energy: -88.094216
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -9.651
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: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -197.058248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.058248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.058248 (E_RNA)
where:
Base-Base interactions energy: -100.573
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.532
local terms energy: -95.953120
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -14.228
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -133.942226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.942226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.942226 (E_RNA)
where:
Base-Base interactions energy: -57.051
where: short stacking energy: -52.138
Base-Backbone interact. energy: -0.170
local terms energy: -76.721302
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -6.001
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: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -128.101440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.101440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.101440 (E_RNA)
where:
Base-Base interactions energy: -48.662
where: short stacking energy: -35.808
Base-Backbone interact. energy: -0.138
local terms energy: -79.301437
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -167.913995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.913995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.913995 (E_RNA)
where:
Base-Base interactions energy: -99.694
where: short stacking energy: -53.786
Base-Backbone interact. energy: -0.430
local terms energy: -67.790568
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -120.681336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.681336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.681336 (E_RNA)
where:
Base-Base interactions energy: -56.144
where: short stacking energy: -32.710
Base-Backbone interact. energy: -1.572
local terms energy: -62.965408
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: 1.355
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: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -101.161408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.161408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.161408 (E_RNA)
where:
Base-Base interactions energy: -35.551
where: short stacking energy: -34.227
Base-Backbone interact. energy: -0.107
local terms energy: -65.503671
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -416.559921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.559921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.559921 (E_RNA)
where:
Base-Base interactions energy: -295.696
where: short stacking energy: -119.688
Base-Backbone interact. energy: 1.111
local terms energy: -121.974157
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -32.263
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -349.233004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.233004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.233004 (E_RNA)
where:
Base-Base interactions energy: -241.648
where: short stacking energy: -96.957
Base-Backbone interact. energy: 0.476
local terms energy: -108.060381
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -25.938
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -285.920690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.920690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.920690 (E_RNA)
where:
Base-Base interactions energy: -185.692
where: short stacking energy: -71.722
Base-Backbone interact. energy: -2.378
local terms energy: -97.850737
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -17.970
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: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -243.767075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.767075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.767075 (E_RNA)
where:
Base-Base interactions energy: -149.571
where: short stacking energy: -64.141
Base-Backbone interact. energy: 0.654
local terms energy: -94.850192
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -139.863602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.863602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.863602 (E_RNA)
where:
Base-Base interactions energy: -60.379
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.297
local terms energy: -79.187896
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -142.926633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.926633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.926633 (E_RNA)
where:
Base-Base interactions energy: -63.781
where: short stacking energy: -41.142
Base-Backbone interact. energy: -0.477
local terms energy: -78.668189
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -204.328364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.328364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.328364 (E_RNA)
where:
Base-Base interactions energy: -118.456
where: short stacking energy: -62.153
Base-Backbone interact. energy: -0.880
local terms energy: -84.992402
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -9.117
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: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -128.243577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.243577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.243577 (E_RNA)
where:
Base-Base interactions energy: -57.726
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.575
local terms energy: -69.942492
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -3.077
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: 14
Temperature: 1.300000
Total energy: -108.483568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.483568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.483568 (E_RNA)
where:
Base-Base interactions energy: -33.298
where: short stacking energy: -33.157
Base-Backbone interact. energy: -0.473
local terms energy: -74.712451
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -1.145
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: 10, replica: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -103.669958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.669958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.669958 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -28.025
Base-Backbone interact. energy: -0.295
local terms energy: -61.991207
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -415.209434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.209434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.209434 (E_RNA)
where:
Base-Base interactions energy: -295.836
where: short stacking energy: -123.983
Base-Backbone interact. energy: -0.022
local terms energy: -119.351468
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -33.811
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: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -346.088119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.088119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.088119 (E_RNA)
where:
Base-Base interactions energy: -233.129
where: short stacking energy: -109.762
Base-Backbone interact. energy: -1.523
local terms energy: -111.436950
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -28.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -283.692591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.692591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.692591 (E_RNA)
where:
Base-Base interactions energy: -181.537
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.228
local terms energy: -101.927173
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -17.181
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: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -246.839744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.839744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.839744 (E_RNA)
where:
Base-Base interactions energy: -146.874
where: short stacking energy: -72.967
Base-Backbone interact. energy: -0.117
local terms energy: -99.848343
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -16.376
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: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -162.592348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.592348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.592348 (E_RNA)
where:
Base-Base interactions energy: -74.407
where: short stacking energy: -50.319
Base-Backbone interact. energy: 0.114
local terms energy: -88.299023
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -247.622839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.622839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.622839 (E_RNA)
where:
Base-Base interactions energy: -161.739
where: short stacking energy: -64.946
Base-Backbone interact. energy: -1.294
local terms energy: -84.589687
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -136.337962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.337962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.337962 (E_RNA)
where:
Base-Base interactions energy: -63.655
where: short stacking energy: -38.385
Base-Backbone interact. energy: -0.198
local terms energy: -72.485241
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: 3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -131.161482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.161482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.161482 (E_RNA)
where:
Base-Base interactions energy: -67.421
where: short stacking energy: -51.924
Base-Backbone interact. energy: -0.080
local terms energy: -63.660860
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -146.529163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.529163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.529163 (E_RNA)
where:
Base-Base interactions energy: -67.030
where: short stacking energy: -39.744
Base-Backbone interact. energy: -0.043
local terms energy: -79.456304
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -9.869
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: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -110.580768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.580768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.580768 (E_RNA)
where:
Base-Base interactions energy: -44.615
where: short stacking energy: -40.340
Base-Backbone interact. energy: 0.093
local terms energy: -66.058320
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -13.242
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: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -410.011832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.011832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.011832 (E_RNA)
where:
Base-Base interactions energy: -293.388
where: short stacking energy: -120.364
Base-Backbone interact. energy: -0.477
local terms energy: -116.147123
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -32.682
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: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -344.808647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.808647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.808647 (E_RNA)
where:
Base-Base interactions energy: -244.049
where: short stacking energy: -97.384
Base-Backbone interact. energy: -0.514
local terms energy: -100.244930
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -24.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -287.029221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.029221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.029221 (E_RNA)
where:
Base-Base interactions energy: -187.676
where: short stacking energy: -80.674
Base-Backbone interact. energy: -0.183
local terms energy: -99.170287
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -193.115397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.115397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.115397 (E_RNA)
where:
Base-Base interactions energy: -103.744
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.095
local terms energy: -89.276997
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -14.328
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: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -302.754378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.754378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.754378 (E_RNA)
where:
Base-Base interactions energy: -209.127
where: short stacking energy: -87.727
Base-Backbone interact. energy: -0.114
local terms energy: -93.513709
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -22.844
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: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -120.832065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.832065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.832065 (E_RNA)
where:
Base-Base interactions energy: -48.127
where: short stacking energy: -48.127
Base-Backbone interact. energy: -0.064
local terms energy: -72.641102
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -136.593195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.593195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.593195 (E_RNA)
where:
Base-Base interactions energy: -62.021
where: short stacking energy: -50.906
Base-Backbone interact. energy: 0.716
local terms energy: -75.288908
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -8.031
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: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -127.202192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.202192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.202192 (E_RNA)
where:
Base-Base interactions energy: -46.517
where: short stacking energy: -46.191
Base-Backbone interact. energy: -0.289
local terms energy: -80.396440
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -13.054
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: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -113.153794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.153794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.153794 (E_RNA)
where:
Base-Base interactions energy: -49.238
where: short stacking energy: -34.585
Base-Backbone interact. energy: -0.193
local terms energy: -63.722798
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: 2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -99.411665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.411665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.411665 (E_RNA)
where:
Base-Base interactions energy: -23.072
where: short stacking energy: -22.017
Base-Backbone interact. energy: -0.597
local terms energy: -75.742162
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -11.894
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -414.833900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.833900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.833900 (E_RNA)
where:
Base-Base interactions energy: -284.494
where: short stacking energy: -115.369
Base-Backbone interact. energy: -0.490
local terms energy: -129.850392
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -35.099
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: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -344.108194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.108194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.108194 (E_RNA)
where:
Base-Base interactions energy: -236.900
where: short stacking energy: -100.855
Base-Backbone interact. energy: -0.121
local terms energy: -107.087542
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -274.757280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.757280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.757280 (E_RNA)
where:
Base-Base interactions energy: -183.017
where: short stacking energy: -78.405
Base-Backbone interact. energy: -0.400
local terms energy: -91.340455
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -297.937240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.937240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.937240 (E_RNA)
where:
Base-Base interactions energy: -200.888
where: short stacking energy: -72.592
Base-Backbone interact. energy: -1.657
local terms energy: -95.392787
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -16.751
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: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -202.904663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.904663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.904663 (E_RNA)
where:
Base-Base interactions energy: -106.401
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.127
local terms energy: -96.377432
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -135.368886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.368886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.368886 (E_RNA)
where:
Base-Base interactions energy: -55.250
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.512
local terms energy: -79.606065
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -147.412335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.412335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.412335 (E_RNA)
where:
Base-Base interactions energy: -59.343
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.003
local terms energy: -88.066205
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -16.693
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: 17
Temperature: 1.250000
Total energy: -124.980126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.980126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.980126 (E_RNA)
where:
Base-Base interactions energy: -69.448
where: short stacking energy: -43.103
Base-Backbone interact. energy: -0.349
local terms energy: -55.182556
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -0.396
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: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -103.450675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.450675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.450675 (E_RNA)
where:
Base-Base interactions energy: -34.466
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.212
local terms energy: -68.772679
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -100.866607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.866607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.866607 (E_RNA)
where:
Base-Base interactions energy: -44.415
where: short stacking energy: -25.344
Base-Backbone interact. energy: 1.329
local terms energy: -57.780765
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: 6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -417.841472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.841472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.841472 (E_RNA)
where:
Base-Base interactions energy: -293.169
where: short stacking energy: -124.163
Base-Backbone interact. energy: -0.006
local terms energy: -124.665809
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -35.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -354.421527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.421527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.421527 (E_RNA)
where:
Base-Base interactions energy: -260.734
where: short stacking energy: -104.936
Base-Backbone interact. energy: -0.185
local terms energy: -93.502559
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -28.538
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: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -326.103653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.103653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.103653 (E_RNA)
where:
Base-Base interactions energy: -217.559
where: short stacking energy: -97.699
Base-Backbone interact. energy: -0.968
local terms energy: -107.577268
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -24.742
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: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -257.465890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.465890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.465890 (E_RNA)
where:
Base-Base interactions energy: -167.770
where: short stacking energy: -87.960
Base-Backbone interact. energy: -0.527
local terms energy: -89.169375
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -18.367
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: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -191.250571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.250571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.250571 (E_RNA)
where:
Base-Base interactions energy: -99.265
where: short stacking energy: -57.669
Base-Backbone interact. energy: 1.107
local terms energy: -93.093175
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -144.648162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.648162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.648162 (E_RNA)
where:
Base-Base interactions energy: -65.920
where: short stacking energy: -45.729
Base-Backbone interact. energy: -0.926
local terms energy: -77.802270
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -129.551035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.551035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.551035 (E_RNA)
where:
Base-Base interactions energy: -49.603
where: short stacking energy: -48.144
Base-Backbone interact. energy: -0.086
local terms energy: -79.862433
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -12.244
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: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -118.799163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.799163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.799163 (E_RNA)
where:
Base-Base interactions energy: -53.164
where: short stacking energy: -27.432
Base-Backbone interact. energy: 0.135
local terms energy: -65.770018
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: 2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -101.999335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.999335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.999335 (E_RNA)
where:
Base-Base interactions energy: -30.370
where: short stacking energy: -26.699
Base-Backbone interact. energy: -0.455
local terms energy: -71.174373
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: 0.040
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: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -108.191911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.191911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.191911 (E_RNA)
where:
Base-Base interactions energy: -34.788
where: short stacking energy: -31.552
Base-Backbone interact. energy: -0.128
local terms energy: -73.275508
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 3.148
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: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -421.064413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.064413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.064413 (E_RNA)
where:
Base-Base interactions energy: -296.629
where: short stacking energy: -124.472
Base-Backbone interact. energy: -0.031
local terms energy: -124.403726
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -18.757
tors. eta vs tors. theta energy: -34.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -330.675772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.675772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.675772 (E_RNA)
where:
Base-Base interactions energy: -232.331
where: short stacking energy: -90.668
Base-Backbone interact. energy: 1.717
local terms energy: -100.061053
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -344.550179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.550179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.550179 (E_RNA)
where:
Base-Base interactions energy: -239.695
where: short stacking energy: -88.207
Base-Backbone interact. energy: -0.306
local terms energy: -104.549858
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -23.879
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: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -265.226637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.226637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.226637 (E_RNA)
where:
Base-Base interactions energy: -184.936
where: short stacking energy: -79.067
Base-Backbone interact. energy: -0.402
local terms energy: -79.888551
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -2.389
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -204.548668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.548668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.548668 (E_RNA)
where:
Base-Base interactions energy: -117.829
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.859
local terms energy: -85.861308
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -144.458541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.458541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.458541 (E_RNA)
where:
Base-Base interactions energy: -56.864
where: short stacking energy: -40.936
Base-Backbone interact. energy: -0.206
local terms energy: -87.388731
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -146.705316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.705316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.705316 (E_RNA)
where:
Base-Base interactions energy: -62.496
where: short stacking energy: -41.739
Base-Backbone interact. energy: -0.298
local terms energy: -83.911059
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -129.243951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.243951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.243951 (E_RNA)
where:
Base-Base interactions energy: -48.039
where: short stacking energy: -43.564
Base-Backbone interact. energy: -0.429
local terms energy: -80.775990
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -127.057392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.057392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.057392 (E_RNA)
where:
Base-Base interactions energy: -66.367
where: short stacking energy: -45.113
Base-Backbone interact. energy: 1.930
local terms energy: -62.620555
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -114.460534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.460534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.460534 (E_RNA)
where:
Base-Base interactions energy: -55.117
where: short stacking energy: -40.148
Base-Backbone interact. energy: -0.583
local terms energy: -58.760175
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -2.646
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: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -416.889702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.889702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.889702 (E_RNA)
where:
Base-Base interactions energy: -295.114
where: short stacking energy: -121.523
Base-Backbone interact. energy: -0.576
local terms energy: -121.199222
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -35.236
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: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -329.022901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.022901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.022901 (E_RNA)
where:
Base-Base interactions energy: -223.431
where: short stacking energy: -93.475
Base-Backbone interact. energy: 0.538
local terms energy: -106.129919
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -339.636319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.636319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.636319 (E_RNA)
where:
Base-Base interactions energy: -237.439
where: short stacking energy: -96.546
Base-Backbone interact. energy: -0.100
local terms energy: -102.097299
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -25.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -239.892296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.892296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.892296 (E_RNA)
where:
Base-Base interactions energy: -152.522
where: short stacking energy: -73.862
Base-Backbone interact. energy: -0.863
local terms energy: -86.506702
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -219.645909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645909 (E_RNA)
where:
Base-Base interactions energy: -131.685
where: short stacking energy: -75.589
Base-Backbone interact. energy: -0.449
local terms energy: -87.511707
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -135.205108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.205108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.205108 (E_RNA)
where:
Base-Base interactions energy: -53.873
where: short stacking energy: -51.216
Base-Backbone interact. energy: -0.254
local terms energy: -81.078845
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -129.342816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.342816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.342816 (E_RNA)
where:
Base-Base interactions energy: -41.625
where: short stacking energy: -41.625
Base-Backbone interact. energy: 1.646
local terms energy: -89.363992
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -115.244416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.244416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.244416 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -38.112
Base-Backbone interact. energy: -0.313
local terms energy: -78.619682
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -5.408
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: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -128.542855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.542855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.542855 (E_RNA)
where:
Base-Base interactions energy: -60.086
where: short stacking energy: -46.269
Base-Backbone interact. energy: -0.213
local terms energy: -68.244276
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -106.206637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.206637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.206637 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.063
local terms energy: -74.240122
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -425.906845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.906845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.906845 (E_RNA)
where:
Base-Base interactions energy: -303.594
where: short stacking energy: -127.304
Base-Backbone interact. energy: -0.437
local terms energy: -121.876244
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -36.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -358.813204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.813204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.813204 (E_RNA)
where:
Base-Base interactions energy: -253.788
where: short stacking energy: -105.041
Base-Backbone interact. energy: -0.092
local terms energy: -104.933259
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -30.684
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: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -325.420352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.420352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.420352 (E_RNA)
where:
Base-Base interactions energy: -219.657
where: short stacking energy: -93.087
Base-Backbone interact. energy: -0.755
local terms energy: -105.008652
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -15.431
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: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -225.331207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.331207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.331207 (E_RNA)
where:
Base-Base interactions energy: -136.302
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.140
local terms energy: -88.888767
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -12.900
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: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -231.973161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.973161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.973161 (E_RNA)
where:
Base-Base interactions energy: -143.959
where: short stacking energy: -61.051
Base-Backbone interact. energy: -2.389
local terms energy: -85.624950
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -163.072864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.072864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.072864 (E_RNA)
where:
Base-Base interactions energy: -84.555
where: short stacking energy: -43.531
Base-Backbone interact. energy: -0.140
local terms energy: -78.376933
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -10.917
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: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -125.258128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.258128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.258128 (E_RNA)
where:
Base-Base interactions energy: -55.944
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.213
local terms energy: -69.100773
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -11.063
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: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -153.606946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.606946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.606946 (E_RNA)
where:
Base-Base interactions energy: -87.675
where: short stacking energy: -33.562
Base-Backbone interact. energy: -0.819
local terms energy: -65.112985
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: 6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -107.738937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.738937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.738937 (E_RNA)
where:
Base-Base interactions energy: -37.813
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.777
local terms energy: -69.149651
where:
bonds (distance) C4'-P energy: -7.285
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -104.131813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.131813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.131813 (E_RNA)
where:
Base-Base interactions energy: -37.452
where: short stacking energy: -36.691
Base-Backbone interact. energy: 1.121
local terms energy: -67.800317
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -424.481460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.481460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.481460 (E_RNA)
where:
Base-Base interactions energy: -296.298
where: short stacking energy: -122.273
Base-Backbone interact. energy: -0.220
local terms energy: -127.962915
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -36.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -370.603615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.603615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.603615 (E_RNA)
where:
Base-Base interactions energy: -257.266
where: short stacking energy: -115.243
Base-Backbone interact. energy: -0.001
local terms energy: -113.336372
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -30.402
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: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -319.256083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.256083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.256083 (E_RNA)
where:
Base-Base interactions energy: -221.959
where: short stacking energy: -98.648
Base-Backbone interact. energy: -0.274
local terms energy: -97.022617
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -236.307293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.307293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.307293 (E_RNA)
where:
Base-Base interactions energy: -135.439
where: short stacking energy: -87.097
Base-Backbone interact. energy: -0.664
local terms energy: -100.204671
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -230.952297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.952297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.952297 (E_RNA)
where:
Base-Base interactions energy: -138.544
where: short stacking energy: -54.637
Base-Backbone interact. energy: -0.718
local terms energy: -91.690974
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -178.313326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.313326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.313326 (E_RNA)
where:
Base-Base interactions energy: -84.452
where: short stacking energy: -47.553
Base-Backbone interact. energy: -0.274
local terms energy: -93.587539
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -134.459578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.459578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.459578 (E_RNA)
where:
Base-Base interactions energy: -60.126
where: short stacking energy: -50.629
Base-Backbone interact. energy: -0.185
local terms energy: -74.148256
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -120.158464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.158464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.158464 (E_RNA)
where:
Base-Base interactions energy: -50.963
where: short stacking energy: -37.771
Base-Backbone interact. energy: -2.348
local terms energy: -66.847181
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -109.355489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.355489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.355489 (E_RNA)
where:
Base-Base interactions energy: -53.212
where: short stacking energy: -44.373
Base-Backbone interact. energy: -0.559
local terms energy: -55.584458
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -1.546
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -99.319357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.319357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.319357 (E_RNA)
where:
Base-Base interactions energy: -29.882
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.589
local terms energy: -68.848578
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: 0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -425.119319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.119319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.119319 (E_RNA)
where:
Base-Base interactions energy: -297.285
where: short stacking energy: -119.003
Base-Backbone interact. energy: -0.071
local terms energy: -127.762759
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -34.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -338.120742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.120742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.120742 (E_RNA)
where:
Base-Base interactions energy: -238.180
where: short stacking energy: -106.077
Base-Backbone interact. energy: -0.160
local terms energy: -99.780502
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -24.081
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: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -399.766600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.766600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.766600 (E_RNA)
where:
Base-Base interactions energy: -281.539
where: short stacking energy: -108.847
Base-Backbone interact. energy: -0.049
local terms energy: -118.177953
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -31.752
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: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -256.561740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.561740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.561740 (E_RNA)
where:
Base-Base interactions energy: -154.281
where: short stacking energy: -81.461
Base-Backbone interact. energy: -0.830
local terms energy: -101.450481
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -20.409
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: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -246.061811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.061811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.061811 (E_RNA)
where:
Base-Base interactions energy: -161.061
where: short stacking energy: -78.036
Base-Backbone interact. energy: -0.200
local terms energy: -84.801041
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -176.860000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.860000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.860000 (E_RNA)
where:
Base-Base interactions energy: -89.242
where: short stacking energy: -55.811
Base-Backbone interact. energy: -2.894
local terms energy: -84.723857
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -11.110
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: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -147.367832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.367832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.367832 (E_RNA)
where:
Base-Base interactions energy: -67.798
where: short stacking energy: -43.817
Base-Backbone interact. energy: -0.112
local terms energy: -79.457394
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -9.843
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: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -122.170212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.170212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.170212 (E_RNA)
where:
Base-Base interactions energy: -45.123
where: short stacking energy: -38.379
Base-Backbone interact. energy: -1.244
local terms energy: -75.803127
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -1.817
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: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -116.528477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.528477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.528477 (E_RNA)
where:
Base-Base interactions energy: -62.141
where: short stacking energy: -41.272
Base-Backbone interact. energy: 0.310
local terms energy: -54.697777
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: 0.898
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: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -115.313193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.313193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.313193 (E_RNA)
where:
Base-Base interactions energy: -41.886
where: short stacking energy: -41.886
Base-Backbone interact. energy: -0.544
local terms energy: -72.882730
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -11.717
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: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -420.264202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.264202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.264202 (E_RNA)
where:
Base-Base interactions energy: -296.436
where: short stacking energy: -121.572
Base-Backbone interact. energy: -0.124
local terms energy: -123.704292
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -36.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -342.006898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.006898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.006898 (E_RNA)
where:
Base-Base interactions energy: -233.305
where: short stacking energy: -93.260
Base-Backbone interact. energy: -0.734
local terms energy: -107.967243
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -279.950322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.950322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.950322 (E_RNA)
where:
Base-Base interactions energy: -180.296
where: short stacking energy: -76.980
Base-Backbone interact. energy: -3.252
local terms energy: -96.402286
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -16.059
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: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -402.150679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.150679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.150679 (E_RNA)
where:
Base-Base interactions energy: -278.871
where: short stacking energy: -115.757
Base-Backbone interact. energy: -0.115
local terms energy: -123.164577
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -35.902
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: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -232.434002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.434002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.434002 (E_RNA)
where:
Base-Base interactions energy: -133.116
where: short stacking energy: -77.703
Base-Backbone interact. energy: -0.584
local terms energy: -98.734008
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -17.330
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: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -187.357438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.357438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.357438 (E_RNA)
where:
Base-Base interactions energy: -104.174
where: short stacking energy: -68.555
Base-Backbone interact. energy: -0.016
local terms energy: -83.167353
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -14.580
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -200.979008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.979008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.979008 (E_RNA)
where:
Base-Base interactions energy: -121.111
where: short stacking energy: -65.604
Base-Backbone interact. energy: 2.001
local terms energy: -81.868665
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -117.855342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.855342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.855342 (E_RNA)
where:
Base-Base interactions energy: -41.433
where: short stacking energy: -39.686
Base-Backbone interact. energy: -0.213
local terms energy: -76.209234
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -108.034983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.034983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.034983 (E_RNA)
where:
Base-Base interactions energy: -44.703
where: short stacking energy: -39.986
Base-Backbone interact. energy: 1.742
local terms energy: -65.074304
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -1.270
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: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -124.418854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.418854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.418854 (E_RNA)
where:
Base-Base interactions energy: -49.899
where: short stacking energy: -40.058
Base-Backbone interact. energy: -0.501
local terms energy: -74.018756
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -6.975
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: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -422.285883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.285883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.285883 (E_RNA)
where:
Base-Base interactions energy: -296.404
where: short stacking energy: -120.991
Base-Backbone interact. energy: -0.001
local terms energy: -125.880314
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -19.839
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: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -351.663685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.663685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.663685 (E_RNA)
where:
Base-Base interactions energy: -236.305
where: short stacking energy: -98.056
Base-Backbone interact. energy: -0.866
local terms energy: -114.492450
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -28.294
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -285.249538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.249538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.249538 (E_RNA)
where:
Base-Base interactions energy: -178.175
where: short stacking energy: -73.395
Base-Backbone interact. energy: -1.479
local terms energy: -105.595976
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -23.601
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: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -396.556876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.556876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.556876 (E_RNA)
where:
Base-Base interactions energy: -281.229
where: short stacking energy: -119.245
Base-Backbone interact. energy: -0.004
local terms energy: -115.323928
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -33.445
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: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -238.385737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.385737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.385737 (E_RNA)
where:
Base-Base interactions energy: -140.782
where: short stacking energy: -65.881
Base-Backbone interact. energy: 1.072
local terms energy: -98.675449
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -15.367
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: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -264.628532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.628532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.628532 (E_RNA)
where:
Base-Base interactions energy: -165.338
where: short stacking energy: -73.309
Base-Backbone interact. energy: -0.194
local terms energy: -99.096560
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -174.880112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.880112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.880112 (E_RNA)
where:
Base-Base interactions energy: -91.387
where: short stacking energy: -54.765
Base-Backbone interact. energy: -0.722
local terms energy: -82.770424
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -13.839
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: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -124.998170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.998170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.998170 (E_RNA)
where:
Base-Base interactions energy: -48.536
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.511
local terms energy: -75.951678
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -111.304618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.304618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.304618 (E_RNA)
where:
Base-Base interactions energy: -43.723
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.375
local terms energy: -67.206685
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: 1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -110.884677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.884677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.884677 (E_RNA)
where:
Base-Base interactions energy: -39.524
where: short stacking energy: -33.306
Base-Backbone interact. energy: 2.206
local terms energy: -73.566901
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: 0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -418.962085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.962085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.962085 (E_RNA)
where:
Base-Base interactions energy: -292.097
where: short stacking energy: -124.130
Base-Backbone interact. energy: -0.005
local terms energy: -126.859721
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -37.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -345.031813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.031813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.031813 (E_RNA)
where:
Base-Base interactions energy: -234.431
where: short stacking energy: -101.014
Base-Backbone interact. energy: -0.251
local terms energy: -110.349810
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -28.745
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: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -397.026957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.026957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.026957 (E_RNA)
where:
Base-Base interactions energy: -286.684
where: short stacking energy: -121.829
Base-Backbone interact. energy: -0.003
local terms energy: -110.340287
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -32.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -265.201152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.201152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.201152 (E_RNA)
where:
Base-Base interactions energy: -170.656
where: short stacking energy: -80.945
Base-Backbone interact. energy: -2.025
local terms energy: -92.520339
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -18.294
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: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -321.252888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.252888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.252888 (E_RNA)
where:
Base-Base interactions energy: -223.168
where: short stacking energy: -91.176
Base-Backbone interact. energy: 0.697
local terms energy: -98.781103
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -219.031395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.031395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.031395 (E_RNA)
where:
Base-Base interactions energy: -127.038
where: short stacking energy: -66.022
Base-Backbone interact. energy: -1.653
local terms energy: -90.340336
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -155.144350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.144350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.144350 (E_RNA)
where:
Base-Base interactions energy: -84.250
where: short stacking energy: -43.415
Base-Backbone interact. energy: 1.054
local terms energy: -71.948970
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: 1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -117.151182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.151182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.151182 (E_RNA)
where:
Base-Base interactions energy: -55.699
where: short stacking energy: -47.812
Base-Backbone interact. energy: -0.061
local terms energy: -61.390464
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: 2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -120.321544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.321544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.321544 (E_RNA)
where:
Base-Base interactions energy: -37.261
where: short stacking energy: -37.261
Base-Backbone interact. energy: -0.149
local terms energy: -82.911677
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -109.830069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.830069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.830069 (E_RNA)
where:
Base-Base interactions energy: -41.854
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.348
local terms energy: -67.628134
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -421.604292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.604292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.604292 (E_RNA)
where:
Base-Base interactions energy: -297.496
where: short stacking energy: -116.847
Base-Backbone interact. energy: -0.002
local terms energy: -124.105864
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -36.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -410.411650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.411650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.411650 (E_RNA)
where:
Base-Base interactions energy: -287.803
where: short stacking energy: -117.279
Base-Backbone interact. energy: -0.297
local terms energy: -122.311629
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -34.995
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: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -343.374497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.374497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.374497 (E_RNA)
where:
Base-Base interactions energy: -241.746
where: short stacking energy: -105.643
Base-Backbone interact. energy: -0.347
local terms energy: -101.281459
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -27.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -361.937821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.937821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.937821 (E_RNA)
where:
Base-Base interactions energy: -262.534
where: short stacking energy: -111.867
Base-Backbone interact. energy: 0.119
local terms energy: -99.523470
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -29.476
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: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -246.272218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.272218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.272218 (E_RNA)
where:
Base-Base interactions energy: -149.938
where: short stacking energy: -63.277
Base-Backbone interact. energy: -0.530
local terms energy: -95.804757
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -222.931930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.931930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.931930 (E_RNA)
where:
Base-Base interactions energy: -131.742
where: short stacking energy: -74.024
Base-Backbone interact. energy: -0.168
local terms energy: -91.021515
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -136.827483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.827483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.827483 (E_RNA)
where:
Base-Base interactions energy: -51.202
where: short stacking energy: -48.664
Base-Backbone interact. energy: -0.061
local terms energy: -85.563752
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -12.013
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: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -127.711932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.711932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.711932 (E_RNA)
where:
Base-Base interactions energy: -52.920
where: short stacking energy: -28.195
Base-Backbone interact. energy: -0.509
local terms energy: -74.282962
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -103.381943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.381943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.381943 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.088
local terms energy: -65.248573
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -1.864
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: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -103.476566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.476566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.476566 (E_RNA)
where:
Base-Base interactions energy: -38.723
where: short stacking energy: -25.823
Base-Backbone interact. energy: -0.823
local terms energy: -63.930694
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: 1.115
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: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -431.136566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.136566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.136566 (E_RNA)
where:
Base-Base interactions energy: -299.516
where: short stacking energy: -120.659
Base-Backbone interact. energy: -0.009
local terms energy: -131.611878
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -35.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -412.882859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.882859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.882859 (E_RNA)
where:
Base-Base interactions energy: -294.588
where: short stacking energy: -120.272
Base-Backbone interact. energy: -0.369
local terms energy: -117.926238
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -36.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -401.164293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.164293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.164293 (E_RNA)
where:
Base-Base interactions energy: -285.394
where: short stacking energy: -117.312
Base-Backbone interact. energy: -0.038
local terms energy: -115.731722
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -30.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -342.619073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.619073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.619073 (E_RNA)
where:
Base-Base interactions energy: -224.773
where: short stacking energy: -99.539
Base-Backbone interact. energy: 1.261
local terms energy: -119.107817
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -15.362
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: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -263.225096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.225096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.225096 (E_RNA)
where:
Base-Base interactions energy: -165.421
where: short stacking energy: -71.859
Base-Backbone interact. energy: -1.200
local terms energy: -96.604860
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -20.888
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: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -231.854219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.854219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.854219 (E_RNA)
where:
Base-Base interactions energy: -151.839
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.263
local terms energy: -79.752058
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -126.496277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.496277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.496277 (E_RNA)
where:
Base-Base interactions energy: -56.648
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.087
local terms energy: -69.761000
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -122.496615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.496615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.496615 (E_RNA)
where:
Base-Base interactions energy: -56.756
where: short stacking energy: -44.476
Base-Backbone interact. energy: -0.282
local terms energy: -65.458191
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -127.789513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.789513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.789513 (E_RNA)
where:
Base-Base interactions energy: -53.381
where: short stacking energy: -42.996
Base-Backbone interact. energy: -0.105
local terms energy: -74.303702
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -12.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -101.621582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.621582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.621582 (E_RNA)
where:
Base-Base interactions energy: -33.706
where: short stacking energy: -31.664
Base-Backbone interact. energy: -0.866
local terms energy: -67.049842
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -2.820
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: 29
Temperature: 0.900000
Total energy: -418.361148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.361148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.361148 (E_RNA)
where:
Base-Base interactions energy: -299.227
where: short stacking energy: -122.213
Base-Backbone interact. energy: -0.260
local terms energy: -118.874793
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -37.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -411.309261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.309261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.309261 (E_RNA)
where:
Base-Base interactions energy: -295.627
where: short stacking energy: -119.908
Base-Backbone interact. energy: -0.942
local terms energy: -114.740033
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -31.017
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: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -410.866119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.866119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.866119 (E_RNA)
where:
Base-Base interactions energy: -288.337
where: short stacking energy: -117.871
Base-Backbone interact. energy: -0.182
local terms energy: -122.346653
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -33.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -338.276217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.276217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.276217 (E_RNA)
where:
Base-Base interactions energy: -231.112
where: short stacking energy: -93.148
Base-Backbone interact. energy: -0.407
local terms energy: -106.757242
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -27.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -283.703075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.703075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.703075 (E_RNA)
where:
Base-Base interactions energy: -190.169
where: short stacking energy: -88.553
Base-Backbone interact. energy: -0.365
local terms energy: -93.169181
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -20.799
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: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -208.505864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.505864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.505864 (E_RNA)
where:
Base-Base interactions energy: -110.867
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.855
local terms energy: -96.783034
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -141.574366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.574366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.574366 (E_RNA)
where:
Base-Base interactions energy: -54.496
where: short stacking energy: -47.792
Base-Backbone interact. energy: 1.470
local terms energy: -88.548013
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -151.464220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.464220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.464220 (E_RNA)
where:
Base-Base interactions energy: -70.348
where: short stacking energy: -33.219
Base-Backbone interact. energy: -0.989
local terms energy: -80.127015
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -117.014045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.014045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.014045 (E_RNA)
where:
Base-Base interactions energy: -56.365
where: short stacking energy: -28.540
Base-Backbone interact. energy: 0.887
local terms energy: -61.536266
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: 6.521
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: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -114.205063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.205063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.205063 (E_RNA)
where:
Base-Base interactions energy: -45.759
where: short stacking energy: -35.431
Base-Backbone interact. energy: -0.341
local terms energy: -68.105257
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -407.839785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.839785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.839785 (E_RNA)
where:
Base-Base interactions energy: -294.382
where: short stacking energy: -121.500
Base-Backbone interact. energy: -0.348
local terms energy: -113.110167
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -33.636
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: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -409.553011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.553011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.553011 (E_RNA)
where:
Base-Base interactions energy: -284.714
where: short stacking energy: -114.924
Base-Backbone interact. energy: -0.178
local terms energy: -124.660089
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -35.264
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: 30
Temperature: 1.000000
Total energy: -410.924470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.924470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.924470 (E_RNA)
where:
Base-Base interactions energy: -292.211
where: short stacking energy: -123.875
Base-Backbone interact. energy: -0.017
local terms energy: -118.696557
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -36.167
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: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -333.547705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.547705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.547705 (E_RNA)
where:
Base-Base interactions energy: -225.016
where: short stacking energy: -104.260
Base-Backbone interact. energy: -3.706
local terms energy: -104.826190
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -27.079
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: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -296.061984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.061984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.061984 (E_RNA)
where:
Base-Base interactions energy: -187.300
where: short stacking energy: -91.893
Base-Backbone interact. energy: -0.165
local terms energy: -108.596342
where:
bonds (distance) C4'-P energy: -25.097
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -24.074
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -190.089552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.089552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.089552 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -48.332
Base-Backbone interact. energy: -0.720
local terms energy: -76.644933
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -6.470
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: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -128.030996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.030996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.030996 (E_RNA)
where:
Base-Base interactions energy: -59.146
where: short stacking energy: -48.382
Base-Backbone interact. energy: 1.133
local terms energy: -70.017531
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -11.536
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: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -132.421928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.421928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.421928 (E_RNA)
where:
Base-Base interactions energy: -60.501
where: short stacking energy: -42.484
Base-Backbone interact. energy: -0.094
local terms energy: -71.826316
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -117.402577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.402577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.402577 (E_RNA)
where:
Base-Base interactions energy: -54.983
where: short stacking energy: -50.730
Base-Backbone interact. energy: -0.449
local terms energy: -61.970696
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -2.955
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: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -110.605808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.605808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.605808 (E_RNA)
where:
Base-Base interactions energy: -37.446
where: short stacking energy: -25.675
Base-Backbone interact. energy: -0.922
local terms energy: -72.237767
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -15.335
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: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -414.816720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.816720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.816720 (E_RNA)
where:
Base-Base interactions energy: -294.468
where: short stacking energy: -124.316
Base-Backbone interact. energy: -0.084
local terms energy: -120.265338
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -31.903
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: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -423.667707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.667707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.667707 (E_RNA)
where:
Base-Base interactions energy: -298.280
where: short stacking energy: -125.886
Base-Backbone interact. energy: -0.380
local terms energy: -125.007431
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -35.612
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: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -407.431666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.431666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.431666 (E_RNA)
where:
Base-Base interactions energy: -288.447
where: short stacking energy: -119.103
Base-Backbone interact. energy: -0.002
local terms energy: -118.982434
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -37.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -318.920051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.920051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.920051 (E_RNA)
where:
Base-Base interactions energy: -215.980
where: short stacking energy: -97.216
Base-Backbone interact. energy: 0.058
local terms energy: -102.998867
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -296.900538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.900538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.900538 (E_RNA)
where:
Base-Base interactions energy: -193.352
where: short stacking energy: -75.518
Base-Backbone interact. energy: -1.572
local terms energy: -101.977227
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -18.600
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: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -167.341329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.341329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.341329 (E_RNA)
where:
Base-Base interactions energy: -84.724
where: short stacking energy: -51.889
Base-Backbone interact. energy: 2.812
local terms energy: -85.429288
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -9.523
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: 31
Temperature: 1.200000
Total energy: -136.852031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.852031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.852031 (E_RNA)
where:
Base-Base interactions energy: -63.070
where: short stacking energy: -48.693
Base-Backbone interact. energy: -0.031
local terms energy: -73.750965
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -150.618510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.618510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.618510 (E_RNA)
where:
Base-Base interactions energy: -66.762
where: short stacking energy: -52.402
Base-Backbone interact. energy: -0.460
local terms energy: -83.396277
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -10.161
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: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -117.099173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.099173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.099173 (E_RNA)
where:
Base-Base interactions energy: -44.434
where: short stacking energy: -38.838
Base-Backbone interact. energy: -0.039
local terms energy: -72.626197
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -122.822328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.822328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.822328 (E_RNA)
where:
Base-Base interactions energy: -43.366
where: short stacking energy: -42.706
Base-Backbone interact. energy: 0.028
local terms energy: -79.483729
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -420.738560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.738560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.738560 (E_RNA)
where:
Base-Base interactions energy: -297.241
where: short stacking energy: -125.892
Base-Backbone interact. energy: -0.592
local terms energy: -122.905011
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -37.933
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: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -404.505566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.505566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.505566 (E_RNA)
where:
Base-Base interactions energy: -289.140
where: short stacking energy: -115.057
Base-Backbone interact. energy: -0.671
local terms energy: -114.694379
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -35.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -415.955310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.955310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.955310 (E_RNA)
where:
Base-Base interactions energy: -297.559
where: short stacking energy: -119.616
Base-Backbone interact. energy: -0.578
local terms energy: -117.818282
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -34.771
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: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -328.883423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.883423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.883423 (E_RNA)
where:
Base-Base interactions energy: -223.461
where: short stacking energy: -102.737
Base-Backbone interact. energy: -0.226
local terms energy: -105.196311
where:
bonds (distance) C4'-P energy: -25.660
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -25.385
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: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -283.912204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.912204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.912204 (E_RNA)
where:
Base-Base interactions energy: -190.143
where: short stacking energy: -86.976
Base-Backbone interact. energy: -0.356
local terms energy: -93.413180
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -180.474295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.474295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.474295 (E_RNA)
where:
Base-Base interactions energy: -109.349
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.230
local terms energy: -70.895618
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -179.769137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.769137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.769137 (E_RNA)
where:
Base-Base interactions energy: -99.508
where: short stacking energy: -56.744
Base-Backbone interact. energy: -0.868
local terms energy: -79.393861
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -25.163
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -4.676
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: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -126.138211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.138211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.138211 (E_RNA)
where:
Base-Base interactions energy: -48.643
where: short stacking energy: -42.647
Base-Backbone interact. energy: -0.327
local terms energy: -77.168103
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -116.739134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.739134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.739134 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -40.458
Base-Backbone interact. energy: -0.554
local terms energy: -66.812777
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -9.994
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: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -99.129908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.129908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.129908 (E_RNA)
where:
Base-Base interactions energy: -35.448
where: short stacking energy: -33.769
Base-Backbone interact. energy: -0.483
local terms energy: -63.198452
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -422.874466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.874466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.874466 (E_RNA)
where:
Base-Base interactions energy: -301.841
where: short stacking energy: -123.916
Base-Backbone interact. energy: 0.494
local terms energy: -121.527462
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -34.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -415.882786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.882786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.882786 (E_RNA)
where:
Base-Base interactions energy: -295.032
where: short stacking energy: -119.805
Base-Backbone interact. energy: -0.304
local terms energy: -120.547071
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -35.881
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -408.315002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.315002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.315002 (E_RNA)
where:
Base-Base interactions energy: -302.078
where: short stacking energy: -123.685
Base-Backbone interact. energy: 0.710
local terms energy: -106.947166
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -34.703
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: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -332.194665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.194665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.194665 (E_RNA)
where:
Base-Base interactions energy: -220.406
where: short stacking energy: -101.336
Base-Backbone interact. energy: -0.067
local terms energy: -111.722258
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -31.217
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: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -292.154700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.154700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.154700 (E_RNA)
where:
Base-Base interactions energy: -189.673
where: short stacking energy: -88.688
Base-Backbone interact. energy: 0.632
local terms energy: -103.113801
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -18.769
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: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -183.913166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.913166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.913166 (E_RNA)
where:
Base-Base interactions energy: -109.362
where: short stacking energy: -49.379
Base-Backbone interact. energy: -2.974
local terms energy: -71.576907
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -178.056191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.056191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.056191 (E_RNA)
where:
Base-Base interactions energy: -99.123
where: short stacking energy: -52.086
Base-Backbone interact. energy: 0.406
local terms energy: -79.338711
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -11.009
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: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -122.666234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.666234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.666234 (E_RNA)
where:
Base-Base interactions energy: -59.246
where: short stacking energy: -31.766
Base-Backbone interact. energy: 2.007
local terms energy: -65.427537
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -120.899043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.899043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.899043 (E_RNA)
where:
Base-Base interactions energy: -51.269
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.337
local terms energy: -69.293157
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -108.103340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.103340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.103340 (E_RNA)
where:
Base-Base interactions energy: -39.150
where: short stacking energy: -35.999
Base-Backbone interact. energy: -0.218
local terms energy: -68.735289
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -429.610753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.610753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.610753 (E_RNA)
where:
Base-Base interactions energy: -308.567
where: short stacking energy: -123.240
Base-Backbone interact. energy: -0.001
local terms energy: -121.042784
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -32.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -411.771784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.771784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.771784 (E_RNA)
where:
Base-Base interactions energy: -293.494
where: short stacking energy: -117.881
Base-Backbone interact. energy: -0.133
local terms energy: -118.144655
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -35.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -409.068949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.068949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.068949 (E_RNA)
where:
Base-Base interactions energy: -288.257
where: short stacking energy: -121.834
Base-Backbone interact. energy: -0.241
local terms energy: -120.570973
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -35.239
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: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -343.016986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.016986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.016986 (E_RNA)
where:
Base-Base interactions energy: -228.482
where: short stacking energy: -98.746
Base-Backbone interact. energy: -0.075
local terms energy: -114.459809
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -30.751
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: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -201.112477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.112477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.112477 (E_RNA)
where:
Base-Base interactions energy: -109.328
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.300
local terms energy: -91.484959
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -299.543358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.543358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.543358 (E_RNA)
where:
Base-Base interactions energy: -202.184
where: short stacking energy: -96.600
Base-Backbone interact. energy: -0.043
local terms energy: -97.316086
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -171.398780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.398780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.398780 (E_RNA)
where:
Base-Base interactions energy: -95.675
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.992
local terms energy: -74.732074
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -10.645
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: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -137.078654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.078654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.078654 (E_RNA)
where:
Base-Base interactions energy: -72.693
where: short stacking energy: -39.527
Base-Backbone interact. energy: -1.099
local terms energy: -63.286125
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -111.548601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.548601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.548601 (E_RNA)
where:
Base-Base interactions energy: -47.684
where: short stacking energy: -45.144
Base-Backbone interact. energy: -0.663
local terms energy: -63.201332
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: 2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -94.986675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.986675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.986675 (E_RNA)
where:
Base-Base interactions energy: -28.429
where: short stacking energy: -23.247
Base-Backbone interact. energy: -0.249
local terms energy: -66.308557
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -426.770450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.770450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.770450 (E_RNA)
where:
Base-Base interactions energy: -298.547
where: short stacking energy: -122.817
Base-Backbone interact. energy: -0.214
local terms energy: -128.009885
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -36.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -416.306117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.306117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.306117 (E_RNA)
where:
Base-Base interactions energy: -296.463
where: short stacking energy: -125.934
Base-Backbone interact. energy: -0.007
local terms energy: -119.836348
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -33.807
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: 3, replica: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -416.149631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.149631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.149631 (E_RNA)
where:
Base-Base interactions energy: -293.165
where: short stacking energy: -118.079
Base-Backbone interact. energy: -0.514
local terms energy: -122.470880
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -24.003
flat angles C4'-P-C4' energy: -24.469
flat angles P-C4'-P energy: -18.173
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: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -345.771780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.771780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.771780 (E_RNA)
where:
Base-Base interactions energy: -240.699
where: short stacking energy: -102.201
Base-Backbone interact. energy: 0.889
local terms energy: -105.961833
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -28.927
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: 35
Temperature: 1.100000
Total energy: -181.237638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.237638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.237638 (E_RNA)
where:
Base-Base interactions energy: -106.953
where: short stacking energy: -63.255
Base-Backbone interact. energy: 0.063
local terms energy: -74.348484
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -290.072772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.072772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.072772 (E_RNA)
where:
Base-Base interactions energy: -189.841
where: short stacking energy: -84.737
Base-Backbone interact. energy: -0.038
local terms energy: -100.193368
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -167.503196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.503196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.503196 (E_RNA)
where:
Base-Base interactions energy: -89.256
where: short stacking energy: -54.876
Base-Backbone interact. energy: -0.548
local terms energy: -77.699368
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -123.959599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.959599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.959599 (E_RNA)
where:
Base-Base interactions energy: -46.741
where: short stacking energy: -36.181
Base-Backbone interact. energy: -0.902
local terms energy: -76.317367
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -9.709
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: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -114.627082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.627082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.627082 (E_RNA)
where:
Base-Base interactions energy: -64.906
where: short stacking energy: -45.598
Base-Backbone interact. energy: -0.314
local terms energy: -49.407243
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: -8.972
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: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -105.132347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.132347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.132347 (E_RNA)
where:
Base-Base interactions energy: -42.877
where: short stacking energy: -31.528
Base-Backbone interact. energy: -0.034
local terms energy: -62.221253
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -415.774131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.774131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.774131 (E_RNA)
where:
Base-Base interactions energy: -292.953
where: short stacking energy: -118.890
Base-Backbone interact. energy: -0.009
local terms energy: -122.811710
where:
bonds (distance) C4'-P energy: -25.461
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -35.677
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: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -422.029879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.029879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.029879 (E_RNA)
where:
Base-Base interactions energy: -298.930
where: short stacking energy: -122.588
Base-Backbone interact. energy: -0.002
local terms energy: -123.097360
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -35.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -411.356609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.356609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.356609 (E_RNA)
where:
Base-Base interactions energy: -288.032
where: short stacking energy: -120.055
Base-Backbone interact. energy: -1.280
local terms energy: -122.044325
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: -35.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -355.425051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.425051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.425051 (E_RNA)
where:
Base-Base interactions energy: -251.887
where: short stacking energy: -107.087
Base-Backbone interact. energy: -0.440
local terms energy: -103.097874
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -31.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -310.568431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.568431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.568431 (E_RNA)
where:
Base-Base interactions energy: -211.553
where: short stacking energy: -84.130
Base-Backbone interact. energy: -0.224
local terms energy: -98.791658
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -19.441
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: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -177.125578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.125578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.125578 (E_RNA)
where:
Base-Base interactions energy: -98.151
where: short stacking energy: -59.121
Base-Backbone interact. energy: 0.342
local terms energy: -79.315959
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -11.831
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: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -130.132060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.132060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.132060 (E_RNA)
where:
Base-Base interactions energy: -66.097
where: short stacking energy: -48.991
Base-Backbone interact. energy: -0.852
local terms energy: -63.183576
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: 0.583
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: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -142.053447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.053447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.053447 (E_RNA)
where:
Base-Base interactions energy: -64.898
where: short stacking energy: -41.342
Base-Backbone interact. energy: 0.246
local terms energy: -77.402017
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -6.136
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: 36
Temperature: 1.300000
Total energy: -111.063151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.063151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.063151 (E_RNA)
where:
Base-Base interactions energy: -35.869
where: short stacking energy: -32.139
Base-Backbone interact. energy: -1.659
local terms energy: -73.535274
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -8.451
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: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -107.276254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.276254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.276254 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -31.730
Base-Backbone interact. energy: -0.318
local terms energy: -68.526088
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -3.352
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: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -420.684698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.684698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.684698 (E_RNA)
where:
Base-Base interactions energy: -297.441
where: short stacking energy: -115.056
Base-Backbone interact. energy: 1.327
local terms energy: -124.570099
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -35.283
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: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -417.039839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.039839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.039839 (E_RNA)
where:
Base-Base interactions energy: -297.680
where: short stacking energy: -123.091
Base-Backbone interact. energy: -0.080
local terms energy: -119.279910
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -36.004
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: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -414.870985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.870985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.870985 (E_RNA)
where:
Base-Base interactions energy: -287.676
where: short stacking energy: -118.702
Base-Backbone interact. energy: -0.965
local terms energy: -126.229984
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -36.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -365.500472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.500472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.500472 (E_RNA)
where:
Base-Base interactions energy: -257.161
where: short stacking energy: -105.078
Base-Backbone interact. energy: -0.608
local terms energy: -107.731520
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -380.514234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.514234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.514234 (E_RNA)
where:
Base-Base interactions energy: -273.420
where: short stacking energy: -110.584
Base-Backbone interact. energy: -0.285
local terms energy: -106.809055
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -32.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -144.615202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.615202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.615202 (E_RNA)
where:
Base-Base interactions energy: -56.491
where: short stacking energy: -38.008
Base-Backbone interact. energy: 0.023
local terms energy: -88.146376
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -7.223
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: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -170.043370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.043370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.043370 (E_RNA)
where:
Base-Base interactions energy: -87.196
where: short stacking energy: -53.393
Base-Backbone interact. energy: 0.551
local terms energy: -83.397859
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -15.761
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: 37
Temperature: 1.250000
Total energy: -125.602887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.602887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.602887 (E_RNA)
where:
Base-Base interactions energy: -50.108
where: short stacking energy: -43.940
Base-Backbone interact. energy: 2.183
local terms energy: -77.677686
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: 0.421
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: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -130.003158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.003158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.003158 (E_RNA)
where:
Base-Base interactions energy: -57.587
where: short stacking energy: -52.538
Base-Backbone interact. energy: -0.241
local terms energy: -72.174737
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -6.325
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: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -122.007427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.007427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.007427 (E_RNA)
where:
Base-Base interactions energy: -50.002
where: short stacking energy: -32.362
Base-Backbone interact. energy: 2.582
local terms energy: -74.588175
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -428.186439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.186439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.186439 (E_RNA)
where:
Base-Base interactions energy: -301.487
where: short stacking energy: -126.180
Base-Backbone interact. energy: -0.042
local terms energy: -126.657781
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -19.982
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: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -422.972249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.972249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.972249 (E_RNA)
where:
Base-Base interactions energy: -295.199
where: short stacking energy: -120.334
Base-Backbone interact. energy: -0.139
local terms energy: -127.634482
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -35.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -411.862212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.862212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.862212 (E_RNA)
where:
Base-Base interactions energy: -295.748
where: short stacking energy: -123.711
Base-Backbone interact. energy: -0.675
local terms energy: -115.438898
where:
bonds (distance) C4'-P energy: -22.734
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -36.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -405.699199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.699199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.699199 (E_RNA)
where:
Base-Base interactions energy: -291.311
where: short stacking energy: -118.189
Base-Backbone interact. energy: -0.134
local terms energy: -114.254842
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -34.699
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: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -398.687040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.687040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.687040 (E_RNA)
where:
Base-Base interactions energy: -286.230
where: short stacking energy: -118.577
Base-Backbone interact. energy: -0.046
local terms energy: -112.411273
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -32.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -153.909923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.909923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.909923 (E_RNA)
where:
Base-Base interactions energy: -80.615
where: short stacking energy: -34.979
Base-Backbone interact. energy: 2.639
local terms energy: -75.934092
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -161.171116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.171116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.171116 (E_RNA)
where:
Base-Base interactions energy: -87.583
where: short stacking energy: -56.713
Base-Backbone interact. energy: -0.033
local terms energy: -73.554720
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -7.274
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: 38
Temperature: 1.250000
Total energy: -119.551704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.551704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.551704 (E_RNA)
where:
Base-Base interactions energy: -63.430
where: short stacking energy: -49.412
Base-Backbone interact. energy: -0.656
local terms energy: -55.465600
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -5.540
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -5.335
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: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -116.910302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.910302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.910302 (E_RNA)
where:
Base-Base interactions energy: -49.729
where: short stacking energy: -33.803
Base-Backbone interact. energy: -0.749
local terms energy: -66.432073
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -106.672347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.672347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.672347 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -32.462
Base-Backbone interact. energy: -1.576
local terms energy: -70.893272
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -420.186807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.186807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.186807 (E_RNA)
where:
Base-Base interactions energy: -293.624
where: short stacking energy: -121.965
Base-Backbone interact. energy: -0.045
local terms energy: -126.518420
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -18.516
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: 2, replica: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -419.421558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.421558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.421558 (E_RNA)
where:
Base-Base interactions energy: -300.530
where: short stacking energy: -127.507
Base-Backbone interact. energy: -0.295
local terms energy: -118.596546
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -36.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -411.980497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.980497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.980497 (E_RNA)
where:
Base-Base interactions energy: -289.618
where: short stacking energy: -114.890
Base-Backbone interact. energy: -0.003
local terms energy: -122.360097
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -20.858
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: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -403.414799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.414799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.414799 (E_RNA)
where:
Base-Base interactions energy: -285.260
where: short stacking energy: -116.526
Base-Backbone interact. energy: 1.397
local terms energy: -119.551654
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -37.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -397.892258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.892258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.892258 (E_RNA)
where:
Base-Base interactions energy: -283.457
where: short stacking energy: -115.082
Base-Backbone interact. energy: -0.002
local terms energy: -114.433220
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -34.708
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: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -186.932089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.932089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.932089 (E_RNA)
where:
Base-Base interactions energy: -107.940
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.040
local terms energy: -78.952060
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -124.111917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.111917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.111917 (E_RNA)
where:
Base-Base interactions energy: -49.887
where: short stacking energy: -43.916
Base-Backbone interact. energy: 0.178
local terms energy: -74.403427
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -137.306401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.306401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.306401 (E_RNA)
where:
Base-Base interactions energy: -60.390
where: short stacking energy: -46.792
Base-Backbone interact. energy: -1.104
local terms energy: -75.812684
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -5.231
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: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -124.408164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.408164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.408164 (E_RNA)
where:
Base-Base interactions energy: -63.587
where: short stacking energy: -23.512
Base-Backbone interact. energy: -0.208
local terms energy: -60.613888
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -125.526404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.526404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.526404 (E_RNA)
where:
Base-Base interactions energy: -74.525
where: short stacking energy: -38.162
Base-Backbone interact. energy: 2.682
local terms energy: -53.683581
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -419.107330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.107330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.107330 (E_RNA)
where:
Base-Base interactions energy: -291.540
where: short stacking energy: -122.612
Base-Backbone interact. energy: -0.519
local terms energy: -127.048325
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -36.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -411.389595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.389595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.389595 (E_RNA)
where:
Base-Base interactions energy: -293.190
where: short stacking energy: -122.751
Base-Backbone interact. energy: -0.460
local terms energy: -117.739005
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -35.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -407.556178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.556178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.556178 (E_RNA)
where:
Base-Base interactions energy: -287.656
where: short stacking energy: -117.034
Base-Backbone interact. energy: -0.208
local terms energy: -119.692148
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -35.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -409.490665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.490665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.490665 (E_RNA)
where:
Base-Base interactions energy: -292.745
where: short stacking energy: -120.847
Base-Backbone interact. energy: -0.173
local terms energy: -116.572537
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -34.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -399.334839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.334839 (E_RNA)
where:
Base-Base interactions energy: -276.187
where: short stacking energy: -113.780
Base-Backbone interact. energy: -0.177
local terms energy: -122.970904
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -37.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -204.838831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.838831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.838831 (E_RNA)
where:
Base-Base interactions energy: -118.338
where: short stacking energy: -64.081
Base-Backbone interact. energy: -2.532
local terms energy: -83.968715
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -8.910
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: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -141.934267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.934267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.934267 (E_RNA)
where:
Base-Base interactions energy: -65.454
where: short stacking energy: -59.292
Base-Backbone interact. energy: -0.117
local terms energy: -76.362368
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -135.093633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.093633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.093633 (E_RNA)
where:
Base-Base interactions energy: -54.288
where: short stacking energy: -36.603
Base-Backbone interact. energy: -0.423
local terms energy: -80.382668
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -111.026693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.026693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.026693 (E_RNA)
where:
Base-Base interactions energy: -38.949
where: short stacking energy: -33.882
Base-Backbone interact. energy: 0.807
local terms energy: -72.884425
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -12.218
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -135.255060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.255060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.255060 (E_RNA)
where:
Base-Base interactions energy: -83.511
where: short stacking energy: -26.523
Base-Backbone interact. energy: -0.727
local terms energy: -51.017220
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: 5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -425.151310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.151310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.151310 (E_RNA)
where:
Base-Base interactions energy: -303.345
where: short stacking energy: -124.475
Base-Backbone interact. energy: -0.402
local terms energy: -121.403859
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -17.777
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: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -415.880705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.880705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.880705 (E_RNA)
where:
Base-Base interactions energy: -290.276
where: short stacking energy: -114.500
Base-Backbone interact. energy: 0.253
local terms energy: -125.857473
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -34.641
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: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -404.737403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.737403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.737403 (E_RNA)
where:
Base-Base interactions energy: -282.867
where: short stacking energy: -113.723
Base-Backbone interact. energy: -0.427
local terms energy: -121.443503
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -26.493
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -34.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -406.418860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.418860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.418860 (E_RNA)
where:
Base-Base interactions energy: -296.371
where: short stacking energy: -120.970
Base-Backbone interact. energy: -0.442
local terms energy: -109.605164
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -31.884
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: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -412.869549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.869549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.869549 (E_RNA)
where:
Base-Base interactions energy: -290.962
where: short stacking energy: -123.531
Base-Backbone interact. energy: -0.002
local terms energy: -121.905344
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -37.102
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -143.753089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.753089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.753089 (E_RNA)
where:
Base-Base interactions energy: -53.258
where: short stacking energy: -53.316
Base-Backbone interact. energy: -0.165
local terms energy: -90.329476
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -11.063
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: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -129.598836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.598836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.598836 (E_RNA)
where:
Base-Base interactions energy: -43.384
where: short stacking energy: -42.385
Base-Backbone interact. energy: -0.166
local terms energy: -86.048823
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -7.481
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: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -127.099240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.099240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.099240 (E_RNA)
where:
Base-Base interactions energy: -45.190
where: short stacking energy: -39.524
Base-Backbone interact. energy: -0.225
local terms energy: -81.684991
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -116.151429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.151429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.151429 (E_RNA)
where:
Base-Base interactions energy: -47.763
where: short stacking energy: -29.322
Base-Backbone interact. energy: -0.312
local terms energy: -68.076685
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: 3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -144.663498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.663498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.663498 (E_RNA)
where:
Base-Base interactions energy: -71.424
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.250
local terms energy: -72.988997
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -12.839
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: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -417.073093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.073093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.073093 (E_RNA)
where:
Base-Base interactions energy: -289.832
where: short stacking energy: -121.547
Base-Backbone interact. energy: -0.604
local terms energy: -126.637161
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -19.858
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: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -418.601217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.601217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.601217 (E_RNA)
where:
Base-Base interactions energy: -294.093
where: short stacking energy: -124.892
Base-Backbone interact. energy: -0.001
local terms energy: -124.507331
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -35.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -409.957260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.957260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.957260 (E_RNA)
where:
Base-Base interactions energy: -296.377
where: short stacking energy: -124.203
Base-Backbone interact. energy: -0.173
local terms energy: -113.407567
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -33.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -398.154179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.154179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.154179 (E_RNA)
where:
Base-Base interactions energy: -282.983
where: short stacking energy: -115.659
Base-Backbone interact. energy: -0.285
local terms energy: -114.886285
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -35.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -401.032267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.032267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.032267 (E_RNA)
where:
Base-Base interactions energy: -283.348
where: short stacking energy: -119.652
Base-Backbone interact. energy: -0.006
local terms energy: -117.677769
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -36.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -154.050411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.050411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.050411 (E_RNA)
where:
Base-Base interactions energy: -63.758
where: short stacking energy: -44.314
Base-Backbone interact. energy: -0.323
local terms energy: -89.969878
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -9.303
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: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -116.840451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.840451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.840451 (E_RNA)
where:
Base-Base interactions energy: -56.340
where: short stacking energy: -37.530
Base-Backbone interact. energy: -0.950
local terms energy: -59.549651
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -3.708
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: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -112.967792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.967792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.967792 (E_RNA)
where:
Base-Base interactions energy: -34.263
where: short stacking energy: -34.263
Base-Backbone interact. energy: -0.222
local terms energy: -78.482083
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -102.494924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.494924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.494924 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -33.767
Base-Backbone interact. energy: -0.360
local terms energy: -68.488886
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -0.652
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: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -106.681894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.681894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.681894 (E_RNA)
where:
Base-Base interactions energy: -43.018
where: short stacking energy: -39.302
Base-Backbone interact. energy: 1.162
local terms energy: -64.825935
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -5.455
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: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -420.092860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.092860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.092860 (E_RNA)
where:
Base-Base interactions energy: -300.010
where: short stacking energy: -127.428
Base-Backbone interact. energy: -0.001
local terms energy: -120.081944
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -35.571
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: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -418.677199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.677199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.677199 (E_RNA)
where:
Base-Base interactions energy: -298.942
where: short stacking energy: -125.903
Base-Backbone interact. energy: -0.425
local terms energy: -119.310092
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -36.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -407.073391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.073391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.073391 (E_RNA)
where:
Base-Base interactions energy: -294.586
where: short stacking energy: -123.039
Base-Backbone interact. energy: -0.008
local terms energy: -112.479704
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -34.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -405.266183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.266183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.266183 (E_RNA)
where:
Base-Base interactions energy: -287.657
where: short stacking energy: -115.395
Base-Backbone interact. energy: -0.605
local terms energy: -117.004973
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -36.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -400.687377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.687377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.687377 (E_RNA)
where:
Base-Base interactions energy: -287.965
where: short stacking energy: -113.539
Base-Backbone interact. energy: -0.308
local terms energy: -112.413937
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -33.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -142.923764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.923764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.923764 (E_RNA)
where:
Base-Base interactions energy: -64.666
where: short stacking energy: -54.081
Base-Backbone interact. energy: 0.658
local terms energy: -78.915605
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -119.706352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.706352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.706352 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -36.083
Base-Backbone interact. energy: 0.781
local terms energy: -79.392790
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -2.318
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: 43
Temperature: 1.250000
Total energy: -126.513619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.513619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.513619 (E_RNA)
where:
Base-Base interactions energy: -59.321
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.171
local terms energy: -67.021869
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -2.493
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: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -114.448537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.448537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.448537 (E_RNA)
where:
Base-Base interactions energy: -50.979
where: short stacking energy: -42.139
Base-Backbone interact. energy: -0.977
local terms energy: -62.491978
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -110.754537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.754537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.754537 (E_RNA)
where:
Base-Base interactions energy: -51.525
where: short stacking energy: -38.272
Base-Backbone interact. energy: -0.075
local terms energy: -59.155316
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -2.560
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: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -425.333464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.333464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.333464 (E_RNA)
where:
Base-Base interactions energy: -300.480
where: short stacking energy: -126.623
Base-Backbone interact. energy: -0.123
local terms energy: -124.729608
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -37.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -414.085073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.085073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.085073 (E_RNA)
where:
Base-Base interactions energy: -297.362
where: short stacking energy: -114.478
Base-Backbone interact. energy: -0.299
local terms energy: -116.423981
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -32.587
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: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -415.796747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.796747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.796747 (E_RNA)
where:
Base-Base interactions energy: -294.130
where: short stacking energy: -117.158
Base-Backbone interact. energy: -1.169
local terms energy: -120.498375
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -36.518
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: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -405.199856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.199856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.199856 (E_RNA)
where:
Base-Base interactions energy: -290.192
where: short stacking energy: -116.943
Base-Backbone interact. energy: -0.001
local terms energy: -115.007483
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -17.501
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: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -403.917262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.917262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.917262 (E_RNA)
where:
Base-Base interactions energy: -287.589
where: short stacking energy: -118.650
Base-Backbone interact. energy: -0.331
local terms energy: -115.997019
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -131.446484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.446484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.446484 (E_RNA)
where:
Base-Base interactions energy: -52.850
where: short stacking energy: -50.196
Base-Backbone interact. energy: -0.026
local terms energy: -78.570652
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -116.220714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.220714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.220714 (E_RNA)
where:
Base-Base interactions energy: -52.139
where: short stacking energy: -42.159
Base-Backbone interact. energy: 0.701
local terms energy: -64.783017
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -7.155
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: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -123.218428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.218428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.218428 (E_RNA)
where:
Base-Base interactions energy: -51.777
where: short stacking energy: -51.777
Base-Backbone interact. energy: -0.961
local terms energy: -70.479866
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -4.383
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: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -139.974311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.974311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.974311 (E_RNA)
where:
Base-Base interactions energy: -68.926
where: short stacking energy: -31.255
Base-Backbone interact. energy: -0.734
local terms energy: -70.314349
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -101.281384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.281384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.281384 (E_RNA)
where:
Base-Base interactions energy: -46.665
where: short stacking energy: -36.456
Base-Backbone interact. energy: -0.289
local terms energy: -54.327507
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: 0.233
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -417.119258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.119258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.119258 (E_RNA)
where:
Base-Base interactions energy: -294.747
where: short stacking energy: -122.431
Base-Backbone interact. energy: -0.004
local terms energy: -122.367711
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -35.171
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: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -421.665576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.665576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.665576 (E_RNA)
where:
Base-Base interactions energy: -303.296
where: short stacking energy: -125.137
Base-Backbone interact. energy: -0.001
local terms energy: -118.368772
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -34.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -411.796332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.796332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.796332 (E_RNA)
where:
Base-Base interactions energy: -298.437
where: short stacking energy: -122.958
Base-Backbone interact. energy: -0.294
local terms energy: -113.065246
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -38.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -407.420338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.420338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.420338 (E_RNA)
where:
Base-Base interactions energy: -291.163
where: short stacking energy: -116.435
Base-Backbone interact. energy: -0.084
local terms energy: -116.173310
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -408.684417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.684417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.684417 (E_RNA)
where:
Base-Base interactions energy: -297.520
where: short stacking energy: -123.065
Base-Backbone interact. energy: -0.124
local terms energy: -111.040232
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -129.460388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.460388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.460388 (E_RNA)
where:
Base-Base interactions energy: -64.171
where: short stacking energy: -39.103
Base-Backbone interact. energy: -0.134
local terms energy: -65.155206
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -3.315
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: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -122.347112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.347112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.347112 (E_RNA)
where:
Base-Base interactions energy: -46.504
where: short stacking energy: -38.372
Base-Backbone interact. energy: -1.832
local terms energy: -74.010743
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -11.134
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)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -124.380509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.380509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.380509 (E_RNA)
where:
Base-Base interactions energy: -58.395
where: short stacking energy: -25.852
Base-Backbone interact. energy: -0.946
local terms energy: -65.039548
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -107.512383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.512383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.512383 (E_RNA)
where:
Base-Base interactions energy: -42.825
where: short stacking energy: -36.839
Base-Backbone interact. energy: -0.333
local terms energy: -64.353608
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: 2.258
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: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -108.612881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.612881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.612881 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -41.008
Base-Backbone interact. energy: 3.162
local terms energy: -70.767167
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -7.492
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: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -433.845674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.845674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.845674 (E_RNA)
where:
Base-Base interactions energy: -308.747
where: short stacking energy: -127.815
Base-Backbone interact. energy: -0.004
local terms energy: -125.094927
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -31.650
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: 2, replica: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -423.828081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.828081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.828081 (E_RNA)
where:
Base-Base interactions energy: -302.997
where: short stacking energy: -125.739
Base-Backbone interact. energy: -0.728
local terms energy: -120.102651
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -36.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -407.433050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.433050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.433050 (E_RNA)
where:
Base-Base interactions energy: -286.959
where: short stacking energy: -113.349
Base-Backbone interact. energy: -0.996
local terms energy: -119.477214
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -34.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -402.248290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.248290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.248290 (E_RNA)
where:
Base-Base interactions energy: -287.941
where: short stacking energy: -116.552
Base-Backbone interact. energy: -0.998
local terms energy: -113.308974
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -35.477
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -398.226365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.226365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.226365 (E_RNA)
where:
Base-Base interactions energy: -283.025
where: short stacking energy: -116.220
Base-Backbone interact. energy: -0.004
local terms energy: -115.198279
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -34.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -149.575070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.575070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.575070 (E_RNA)
where:
Base-Base interactions energy: -64.826
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.220
local terms energy: -84.528879
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -166.334934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.334934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.334934 (E_RNA)
where:
Base-Base interactions energy: -89.659
where: short stacking energy: -44.128
Base-Backbone interact. energy: -0.196
local terms energy: -76.479732
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -124.268532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.268532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.268532 (E_RNA)
where:
Base-Base interactions energy: -41.231
where: short stacking energy: -40.311
Base-Backbone interact. energy: 0.012
local terms energy: -83.048958
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -118.658132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.658132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.658132 (E_RNA)
where:
Base-Base interactions energy: -43.845
where: short stacking energy: -27.523
Base-Backbone interact. energy: 2.705
local terms energy: -77.517628
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -107.012912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.012912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.012912 (E_RNA)
where:
Base-Base interactions energy: -40.391
where: short stacking energy: -40.391
Base-Backbone interact. energy: -0.517
local terms energy: -66.105584
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -414.664184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.664184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.664184 (E_RNA)
where:
Base-Base interactions energy: -291.221
where: short stacking energy: -114.429
Base-Backbone interact. energy: -1.217
local terms energy: -122.225832
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -35.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -421.782930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.782930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.782930 (E_RNA)
where:
Base-Base interactions energy: -301.758
where: short stacking energy: -125.821
Base-Backbone interact. energy: -0.324
local terms energy: -119.700800
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -37.247
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: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -414.259167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.259167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.259167 (E_RNA)
where:
Base-Base interactions energy: -288.155
where: short stacking energy: -118.360
Base-Backbone interact. energy: -0.001
local terms energy: -126.103158
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -36.138
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: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -413.746138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.746138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.746138 (E_RNA)
where:
Base-Base interactions energy: -297.015
where: short stacking energy: -123.963
Base-Backbone interact. energy: 0.442
local terms energy: -117.173115
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -36.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -401.406526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.406526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.406526 (E_RNA)
where:
Base-Base interactions energy: -285.046
where: short stacking energy: -118.056
Base-Backbone interact. energy: -0.002
local terms energy: -116.359162
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -19.191
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: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -192.989922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.989922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.989922 (E_RNA)
where:
Base-Base interactions energy: -104.969
where: short stacking energy: -63.100
Base-Backbone interact. energy: -0.029
local terms energy: -87.992148
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -10.357
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -183.098345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.098345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.098345 (E_RNA)
where:
Base-Base interactions energy: -113.615
where: short stacking energy: -62.281
Base-Backbone interact. energy: -0.218
local terms energy: -69.265849
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -14.410
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: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -117.937520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.937520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.937520 (E_RNA)
where:
Base-Base interactions energy: -46.920
where: short stacking energy: -46.920
Base-Backbone interact. energy: -0.210
local terms energy: -70.807430
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -3.312
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: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -110.811976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.811976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.811976 (E_RNA)
where:
Base-Base interactions energy: -36.719
where: short stacking energy: -35.645
Base-Backbone interact. energy: -0.447
local terms energy: -73.645954
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.181
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: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -109.368327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.368327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.368327 (E_RNA)
where:
Base-Base interactions energy: -41.834
where: short stacking energy: -34.309
Base-Backbone interact. energy: -0.446
local terms energy: -67.088569
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -421.956817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.956817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.956817 (E_RNA)
where:
Base-Base interactions energy: -299.948
where: short stacking energy: -117.414
Base-Backbone interact. energy: -0.283
local terms energy: -121.726672
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -33.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -411.239380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.239380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.239380 (E_RNA)
where:
Base-Base interactions energy: -289.975
where: short stacking energy: -118.962
Base-Backbone interact. energy: -0.001
local terms energy: -121.264238
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -15.224
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: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -411.691155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.691155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.691155 (E_RNA)
where:
Base-Base interactions energy: -287.501
where: short stacking energy: -113.987
Base-Backbone interact. energy: -0.264
local terms energy: -123.926576
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -34.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -396.479036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.479036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.479036 (E_RNA)
where:
Base-Base interactions energy: -280.662
where: short stacking energy: -117.382
Base-Backbone interact. energy: -0.436
local terms energy: -115.380264
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -35.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -403.858752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.858752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.858752 (E_RNA)
where:
Base-Base interactions energy: -282.415
where: short stacking energy: -116.190
Base-Backbone interact. energy: -0.152
local terms energy: -121.291362
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -190.016280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.016280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.016280 (E_RNA)
where:
Base-Base interactions energy: -113.588
where: short stacking energy: -47.567
Base-Backbone interact. energy: -0.402
local terms energy: -76.026175
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -191.773260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.773260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.773260 (E_RNA)
where:
Base-Base interactions energy: -98.218
where: short stacking energy: -46.527
Base-Backbone interact. energy: -0.152
local terms energy: -93.402822
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -116.063047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.063047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.063047 (E_RNA)
where:
Base-Base interactions energy: -38.189
where: short stacking energy: -22.982
Base-Backbone interact. energy: -0.036
local terms energy: -77.838248
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -109.179270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.179270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.179270 (E_RNA)
where:
Base-Base interactions energy: -51.638
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.435
local terms energy: -57.106074
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: 0.163
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: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -106.993103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.993103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.993103 (E_RNA)
where:
Base-Base interactions energy: -32.593
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.421
local terms energy: -73.978573
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -423.377151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.377151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.377151 (E_RNA)
where:
Base-Base interactions energy: -301.993
where: short stacking energy: -123.686
Base-Backbone interact. energy: -0.735
local terms energy: -120.649292
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -416.465730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.465730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.465730 (E_RNA)
where:
Base-Base interactions energy: -293.204
where: short stacking energy: -121.808
Base-Backbone interact. energy: -0.239
local terms energy: -123.023139
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -35.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -416.113995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.113995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.113995 (E_RNA)
where:
Base-Base interactions energy: -303.507
where: short stacking energy: -127.852
Base-Backbone interact. energy: -0.350
local terms energy: -112.256621
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -36.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -425.527869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.527869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.527869 (E_RNA)
where:
Base-Base interactions energy: -294.302
where: short stacking energy: -122.943
Base-Backbone interact. energy: -0.322
local terms energy: -130.904004
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -38.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -408.163096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.163096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.163096 (E_RNA)
where:
Base-Base interactions energy: -291.066
where: short stacking energy: -112.272
Base-Backbone interact. energy: -0.256
local terms energy: -116.840528
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -31.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -142.456662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.456662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.456662 (E_RNA)
where:
Base-Base interactions energy: -71.981
where: short stacking energy: -33.134
Base-Backbone interact. energy: -1.955
local terms energy: -68.520810
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -10.020
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: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -186.814767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.814767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.814767 (E_RNA)
where:
Base-Base interactions energy: -100.246
where: short stacking energy: -44.812
Base-Backbone interact. energy: -0.476
local terms energy: -86.093088
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -134.570098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.570098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.570098 (E_RNA)
where:
Base-Base interactions energy: -69.124
where: short stacking energy: -35.294
Base-Backbone interact. energy: 0.648
local terms energy: -66.094167
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: 3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -114.360855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.360855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.360855 (E_RNA)
where:
Base-Base interactions energy: -42.717
where: short stacking energy: -42.602
Base-Backbone interact. energy: -0.185
local terms energy: -71.458239
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -106.928339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.928339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.928339 (E_RNA)
where:
Base-Base interactions energy: -48.661
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.581
local terms energy: -57.686910
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -1.107
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: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -418.549637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.549637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.549637 (E_RNA)
where:
Base-Base interactions energy: -284.041
where: short stacking energy: -113.801
Base-Backbone interact. energy: -0.006
local terms energy: -134.502926
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -28.244
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -20.765
tors. eta vs tors. theta energy: -36.056
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: 50
Temperature: 0.950000
Total energy: -412.858440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.858440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.858440 (E_RNA)
where:
Base-Base interactions energy: -282.817
where: short stacking energy: -115.480
Base-Backbone interact. energy: -0.000
local terms energy: -130.040959
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -26.008
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -36.919
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: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -411.879205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.879205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.879205 (E_RNA)
where:
Base-Base interactions energy: -296.052
where: short stacking energy: -124.788
Base-Backbone interact. energy: -0.117
local terms energy: -115.709736
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -36.632
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: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -408.205397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.205397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.205397 (E_RNA)
where:
Base-Base interactions energy: -289.808
where: short stacking energy: -119.507
Base-Backbone interact. energy: -0.009
local terms energy: -118.387983
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -34.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -404.933309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.933309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.933309 (E_RNA)
where:
Base-Base interactions energy: -284.852
where: short stacking energy: -128.392
Base-Backbone interact. energy: -0.625
local terms energy: -119.456805
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -35.286
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: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -224.472231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.472231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.472231 (E_RNA)
where:
Base-Base interactions energy: -129.505
where: short stacking energy: -65.913
Base-Backbone interact. energy: -1.008
local terms energy: -93.958441
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -7.561
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: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -178.583182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.583182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.583182 (E_RNA)
where:
Base-Base interactions energy: -96.315
where: short stacking energy: -57.094
Base-Backbone interact. energy: -0.369
local terms energy: -81.899063
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -121.446478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.446478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.446478 (E_RNA)
where:
Base-Base interactions energy: -58.504
where: short stacking energy: -36.468
Base-Backbone interact. energy: -0.922
local terms energy: -62.020457
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: 0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -114.539608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.539608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.539608 (E_RNA)
where:
Base-Base interactions energy: -39.392
where: short stacking energy: -34.498
Base-Backbone interact. energy: 1.723
local terms energy: -76.870510
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -3.477
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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -109.874033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.874033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.874033 (E_RNA)
where:
Base-Base interactions energy: -39.801
where: short stacking energy: -38.085
Base-Backbone interact. energy: -0.724
local terms energy: -69.349239
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -417.189725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.189725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.189725 (E_RNA)
where:
Base-Base interactions energy: -294.962
where: short stacking energy: -120.712
Base-Backbone interact. energy: -0.000
local terms energy: -122.226931
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -35.686
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: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -408.345853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.345853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.345853 (E_RNA)
where:
Base-Base interactions energy: -292.865
where: short stacking energy: -118.986
Base-Backbone interact. energy: -0.001
local terms energy: -115.479937
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -17.423
tors. eta vs tors. theta energy: -34.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -405.817398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.817398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.817398 (E_RNA)
where:
Base-Base interactions energy: -284.953
where: short stacking energy: -112.936
Base-Backbone interact. energy: -0.159
local terms energy: -120.705960
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -31.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -400.520369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.520369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.520369 (E_RNA)
where:
Base-Base interactions energy: -281.536
where: short stacking energy: -111.779
Base-Backbone interact. energy: -0.007
local terms energy: -118.976601
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -35.301
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -389.128163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.128163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.128163 (E_RNA)
where:
Base-Base interactions energy: -278.287
where: short stacking energy: -114.839
Base-Backbone interact. energy: -0.593
local terms energy: -110.247867
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -32.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -202.793427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.793427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.793427 (E_RNA)
where:
Base-Base interactions energy: -106.246
where: short stacking energy: -67.323
Base-Backbone interact. energy: -3.438
local terms energy: -93.109392
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -18.439
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: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -163.252319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.252319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.252319 (E_RNA)
where:
Base-Base interactions energy: -84.735
where: short stacking energy: -44.719
Base-Backbone interact. energy: -0.165
local terms energy: -78.352963
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -7.433
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: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -111.916348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.916348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.916348 (E_RNA)
where:
Base-Base interactions energy: -40.796
where: short stacking energy: -35.237
Base-Backbone interact. energy: -0.216
local terms energy: -70.903779
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -1.525
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: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -114.476497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.476497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.476497 (E_RNA)
where:
Base-Base interactions energy: -39.707
where: short stacking energy: -28.746
Base-Backbone interact. energy: -0.072
local terms energy: -74.697121
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -9.519
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -108.428580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.428580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.428580 (E_RNA)
where:
Base-Base interactions energy: -34.603
where: short stacking energy: -34.054
Base-Backbone interact. energy: -1.253
local terms energy: -72.573058
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -420.764397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.764397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.764397 (E_RNA)
where:
Base-Base interactions energy: -296.006
where: short stacking energy: -118.923
Base-Backbone interact. energy: -0.728
local terms energy: -124.031005
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -33.473
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: 2, replica: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -412.681183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.681183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.681183 (E_RNA)
where:
Base-Base interactions energy: -299.186
where: short stacking energy: -122.800
Base-Backbone interact. energy: -0.122
local terms energy: -113.372934
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -37.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -408.700280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.700280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.700280 (E_RNA)
where:
Base-Base interactions energy: -293.347
where: short stacking energy: -115.395
Base-Backbone interact. energy: -0.123
local terms energy: -115.230783
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -36.002
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: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -409.243478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.243478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.243478 (E_RNA)
where:
Base-Base interactions energy: -282.401
where: short stacking energy: -116.171
Base-Backbone interact. energy: -0.770
local terms energy: -126.071587
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -37.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -398.848772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.848772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.848772 (E_RNA)
where:
Base-Base interactions energy: -278.516
where: short stacking energy: -111.686
Base-Backbone interact. energy: -0.761
local terms energy: -119.572281
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -35.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -175.101333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.101333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.101333 (E_RNA)
where:
Base-Base interactions energy: -101.155
where: short stacking energy: -59.854
Base-Backbone interact. energy: -0.319
local terms energy: -73.626895
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -4.369
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: 52
Temperature: 1.200000
Total energy: -152.206960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.206960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.206960 (E_RNA)
where:
Base-Base interactions energy: -86.654
where: short stacking energy: -39.391
Base-Backbone interact. energy: -1.248
local terms energy: -64.304528
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -127.971286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.971286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.971286 (E_RNA)
where:
Base-Base interactions energy: -53.999
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.166
local terms energy: -73.805884
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -5.206
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: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -116.095203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.095203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.095203 (E_RNA)
where:
Base-Base interactions energy: -53.809
where: short stacking energy: -28.646
Base-Backbone interact. energy: -0.417
local terms energy: -61.869365
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: 5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -99.136329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.136329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.136329 (E_RNA)
where:
Base-Base interactions energy: -49.049
where: short stacking energy: -36.699
Base-Backbone interact. energy: -0.328
local terms energy: -49.758784
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -1.742
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: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -418.386211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.386211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.386211 (E_RNA)
where:
Base-Base interactions energy: -292.800
where: short stacking energy: -116.770
Base-Backbone interact. energy: -1.302
local terms energy: -124.283989
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -34.951
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: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -414.870408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.870408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.870408 (E_RNA)
where:
Base-Base interactions energy: -293.391
where: short stacking energy: -122.207
Base-Backbone interact. energy: -0.340
local terms energy: -121.139149
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -36.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -412.182919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.182919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.182919 (E_RNA)
where:
Base-Base interactions energy: -295.327
where: short stacking energy: -119.631
Base-Backbone interact. energy: -0.298
local terms energy: -116.558551
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -34.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -410.676754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.676754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.676754 (E_RNA)
where:
Base-Base interactions energy: -289.534
where: short stacking energy: -120.818
Base-Backbone interact. energy: -0.001
local terms energy: -121.141818
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -34.048
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: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -408.310686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.310686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.310686 (E_RNA)
where:
Base-Base interactions energy: -294.171
where: short stacking energy: -119.928
Base-Backbone interact. energy: -0.002
local terms energy: -114.137587
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -35.032
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: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -172.987858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.987858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.987858 (E_RNA)
where:
Base-Base interactions energy: -85.178
where: short stacking energy: -57.731
Base-Backbone interact. energy: -0.361
local terms energy: -87.449489
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -14.806
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: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -131.086819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.086819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.086819 (E_RNA)
where:
Base-Base interactions energy: -58.362
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.329
local terms energy: -72.395769
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -1.368
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: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -129.938761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.938761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.938761 (E_RNA)
where:
Base-Base interactions energy: -70.960
where: short stacking energy: -41.456
Base-Backbone interact. energy: -0.274
local terms energy: -58.703998
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: -0.463
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: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -120.213688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.213688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.213688 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -35.045
Base-Backbone interact. energy: -0.441
local terms energy: -83.179432
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -102.370621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.370621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.370621 (E_RNA)
where:
Base-Base interactions energy: -43.204
where: short stacking energy: -43.204
Base-Backbone interact. energy: -0.304
local terms energy: -58.862126
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -0.473
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: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -424.573568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.573568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.573568 (E_RNA)
where:
Base-Base interactions energy: -296.154
where: short stacking energy: -116.970
Base-Backbone interact. energy: -0.042
local terms energy: -128.377648
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -32.588
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: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -417.401467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.401467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.401467 (E_RNA)
where:
Base-Base interactions energy: -293.654
where: short stacking energy: -124.796
Base-Backbone interact. energy: -0.001
local terms energy: -123.747178
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -36.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -413.886774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.886774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.886774 (E_RNA)
where:
Base-Base interactions energy: -295.939
where: short stacking energy: -119.457
Base-Backbone interact. energy: -0.014
local terms energy: -117.933060
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -33.811
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: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -403.464511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.464511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.464511 (E_RNA)
where:
Base-Base interactions energy: -285.441
where: short stacking energy: -121.627
Base-Backbone interact. energy: -0.242
local terms energy: -117.781870
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -19.315
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: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -397.018542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.018542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.018542 (E_RNA)
where:
Base-Base interactions energy: -275.400
where: short stacking energy: -117.686
Base-Backbone interact. energy: -0.006
local terms energy: -121.612673
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -33.890
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: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -177.950081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.950081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.950081 (E_RNA)
where:
Base-Base interactions energy: -85.605
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.208
local terms energy: -92.136149
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -121.812233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.812233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.812233 (E_RNA)
where:
Base-Base interactions energy: -55.271
where: short stacking energy: -37.944
Base-Backbone interact. energy: 0.453
local terms energy: -66.994764
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: 0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -124.467116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.467116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.467116 (E_RNA)
where:
Base-Base interactions energy: -48.332
where: short stacking energy: -39.005
Base-Backbone interact. energy: 1.074
local terms energy: -77.209531
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -11.337
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: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -114.896850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.896850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.896850 (E_RNA)
where:
Base-Base interactions energy: -56.589
where: short stacking energy: -38.294
Base-Backbone interact. energy: 2.381
local terms energy: -60.689142
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -3.936
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: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -110.555979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.555979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.555979 (E_RNA)
where:
Base-Base interactions energy: -49.063
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.115
local terms energy: -61.377927
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -420.297317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.297317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.297317 (E_RNA)
where:
Base-Base interactions energy: -292.458
where: short stacking energy: -117.947
Base-Backbone interact. energy: -0.023
local terms energy: -127.816467
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -34.608
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: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -410.878894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.878894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.878894 (E_RNA)
where:
Base-Base interactions energy: -292.323
where: short stacking energy: -116.778
Base-Backbone interact. energy: -0.225
local terms energy: -118.331755
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -31.915
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: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -406.422540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.422540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.422540 (E_RNA)
where:
Base-Base interactions energy: -291.749
where: short stacking energy: -120.868
Base-Backbone interact. energy: -0.078
local terms energy: -114.594801
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -17.473
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: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -405.402865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.402865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.402865 (E_RNA)
where:
Base-Base interactions energy: -287.203
where: short stacking energy: -115.853
Base-Backbone interact. energy: -0.005
local terms energy: -118.194034
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -35.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -398.782328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.782328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.782328 (E_RNA)
where:
Base-Base interactions energy: -284.741
where: short stacking energy: -115.284
Base-Backbone interact. energy: -0.245
local terms energy: -113.795625
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -14.037
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: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -130.209312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.209312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.209312 (E_RNA)
where:
Base-Base interactions energy: -57.785
where: short stacking energy: -47.468
Base-Backbone interact. energy: -1.299
local terms energy: -71.125267
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -136.034269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.034269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.034269 (E_RNA)
where:
Base-Base interactions energy: -61.963
where: short stacking energy: -53.143
Base-Backbone interact. energy: -0.008
local terms energy: -74.063129
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -2.560
tors. eta vs tors. theta energy: -12.075
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: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -111.733822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.733822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.733822 (E_RNA)
where:
Base-Base interactions energy: -47.609
where: short stacking energy: -24.024
Base-Backbone interact. energy: 0.369
local terms energy: -64.493932
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: 8.008
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: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -107.823855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.823855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.823855 (E_RNA)
where:
Base-Base interactions energy: -51.973
where: short stacking energy: -47.067
Base-Backbone interact. energy: -0.133
local terms energy: -55.718262
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: 0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -98.605132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.605132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.605132 (E_RNA)
where:
Base-Base interactions energy: -35.694
where: short stacking energy: -25.052
Base-Backbone interact. energy: -0.360
local terms energy: -62.550852
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: 2.310
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: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -415.964205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.964205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.964205 (E_RNA)
where:
Base-Base interactions energy: -300.713
where: short stacking energy: -125.111
Base-Backbone interact. energy: -0.079
local terms energy: -115.172714
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -35.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -411.255929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.255929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.255929 (E_RNA)
where:
Base-Base interactions energy: -285.405
where: short stacking energy: -117.053
Base-Backbone interact. energy: -0.482
local terms energy: -125.368645
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -34.454
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: 56
Temperature: 1.000000
Total energy: -406.126279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.126279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.126279 (E_RNA)
where:
Base-Base interactions energy: -289.310
where: short stacking energy: -121.259
Base-Backbone interact. energy: -0.125
local terms energy: -116.691580
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -25.854
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -36.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -412.410495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.410495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.410495 (E_RNA)
where:
Base-Base interactions energy: -287.986
where: short stacking energy: -118.761
Base-Backbone interact. energy: -0.002
local terms energy: -124.422181
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -37.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -406.329652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.329652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.329652 (E_RNA)
where:
Base-Base interactions energy: -291.144
where: short stacking energy: -120.386
Base-Backbone interact. energy: 0.091
local terms energy: -115.277046
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -34.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -154.368324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.368324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.368324 (E_RNA)
where:
Base-Base interactions energy: -71.773
where: short stacking energy: -44.202
Base-Backbone interact. energy: -0.325
local terms energy: -82.271008
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -148.642990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.642990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.642990 (E_RNA)
where:
Base-Base interactions energy: -81.577
where: short stacking energy: -44.836
Base-Backbone interact. energy: -0.141
local terms energy: -66.924725
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -5.693
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: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -122.000472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.000472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.000472 (E_RNA)
where:
Base-Base interactions energy: -46.758
where: short stacking energy: -34.474
Base-Backbone interact. energy: 0.649
local terms energy: -75.891130
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -122.650005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.650005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.650005 (E_RNA)
where:
Base-Base interactions energy: -49.711
where: short stacking energy: -40.464
Base-Backbone interact. energy: -0.189
local terms energy: -72.750610
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -97.134329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.134329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.134329 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -33.894
Base-Backbone interact. energy: -1.218
local terms energy: -61.416731
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -419.109752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.109752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.109752 (E_RNA)
where:
Base-Base interactions energy: -293.948
where: short stacking energy: -118.965
Base-Backbone interact. energy: -0.309
local terms energy: -124.853338
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -34.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -419.836536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.836536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.836536 (E_RNA)
where:
Base-Base interactions energy: -297.480
where: short stacking energy: -119.158
Base-Backbone interact. energy: -0.047
local terms energy: -122.310184
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -36.025
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: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -411.533824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.533824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.533824 (E_RNA)
where:
Base-Base interactions energy: -293.226
where: short stacking energy: -121.619
Base-Backbone interact. energy: -0.173
local terms energy: -118.134770
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -33.423
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: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -398.408514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.408514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.408514 (E_RNA)
where:
Base-Base interactions energy: -284.735
where: short stacking energy: -111.088
Base-Backbone interact. energy: -1.265
local terms energy: -112.408651
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -29.677
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: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -399.963298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.963298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.963298 (E_RNA)
where:
Base-Base interactions energy: -293.030
where: short stacking energy: -122.494
Base-Backbone interact. energy: -0.001
local terms energy: -106.932330
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -35.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -171.321421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.321421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.321421 (E_RNA)
where:
Base-Base interactions energy: -79.930
where: short stacking energy: -53.641
Base-Backbone interact. energy: -0.690
local terms energy: -90.702077
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -194.533357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.533357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.533357 (E_RNA)
where:
Base-Base interactions energy: -97.114
where: short stacking energy: -63.112
Base-Backbone interact. energy: -0.004
local terms energy: -97.415133
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -13.809
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: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -138.229149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.229149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.229149 (E_RNA)
where:
Base-Base interactions energy: -69.409
where: short stacking energy: -39.968
Base-Backbone interact. energy: 0.178
local terms energy: -68.998402
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -13.844
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: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -115.428941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.428941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.428941 (E_RNA)
where:
Base-Base interactions energy: -39.622
where: short stacking energy: -32.294
Base-Backbone interact. energy: -0.130
local terms energy: -75.677529
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -25.361
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -107.689111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.689111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.689111 (E_RNA)
where:
Base-Base interactions energy: -39.599
where: short stacking energy: -29.540
Base-Backbone interact. energy: 0.335
local terms energy: -68.425513
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -421.730380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.730380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.730380 (E_RNA)
where:
Base-Base interactions energy: -303.970
where: short stacking energy: -126.240
Base-Backbone interact. energy: -0.020
local terms energy: -117.739534
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -421.401709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.401709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.401709 (E_RNA)
where:
Base-Base interactions energy: -300.498
where: short stacking energy: -123.098
Base-Backbone interact. energy: -0.591
local terms energy: -120.312855
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -35.357
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: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -409.133728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.133728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.133728 (E_RNA)
where:
Base-Base interactions energy: -289.178
where: short stacking energy: -117.008
Base-Backbone interact. energy: -0.104
local terms energy: -119.851397
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -33.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -412.005474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.005474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.005474 (E_RNA)
where:
Base-Base interactions energy: -294.848
where: short stacking energy: -120.850
Base-Backbone interact. energy: -0.001
local terms energy: -117.156761
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -37.142
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: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -398.788285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.788285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.788285 (E_RNA)
where:
Base-Base interactions energy: -284.422
where: short stacking energy: -115.353
Base-Backbone interact. energy: -0.294
local terms energy: -114.072411
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -33.840
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: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -206.644314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.644314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.644314 (E_RNA)
where:
Base-Base interactions energy: -122.415
where: short stacking energy: -51.992
Base-Backbone interact. energy: -0.418
local terms energy: -83.811772
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -138.713515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.713515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.713515 (E_RNA)
where:
Base-Base interactions energy: -51.035
where: short stacking energy: -37.050
Base-Backbone interact. energy: -0.271
local terms energy: -87.407179
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -15.707
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -116.258599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.258599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.258599 (E_RNA)
where:
Base-Base interactions energy: -50.123
where: short stacking energy: -41.687
Base-Backbone interact. energy: -0.192
local terms energy: -65.943818
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -117.258624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.258624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.258624 (E_RNA)
where:
Base-Base interactions energy: -49.612
where: short stacking energy: -40.445
Base-Backbone interact. energy: -0.742
local terms energy: -66.905200
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -3.103
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: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -106.163798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.163798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.163798 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -32.499
Base-Backbone interact. energy: -0.323
local terms energy: -70.582065
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -417.991719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.991719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.991719 (E_RNA)
where:
Base-Base interactions energy: -287.949
where: short stacking energy: -121.348
Base-Backbone interact. energy: -0.617
local terms energy: -129.426240
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -35.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -411.629308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.629308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.629308 (E_RNA)
where:
Base-Base interactions energy: -289.720
where: short stacking energy: -119.168
Base-Backbone interact. energy: -0.621
local terms energy: -121.288153
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -34.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -414.027005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.027005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.027005 (E_RNA)
where:
Base-Base interactions energy: -291.952
where: short stacking energy: -121.523
Base-Backbone interact. energy: -0.006
local terms energy: -122.069077
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -20.976
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: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -411.336995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.336995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.336995 (E_RNA)
where:
Base-Base interactions energy: -297.985
where: short stacking energy: -128.704
Base-Backbone interact. energy: -0.845
local terms energy: -112.506936
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -33.724
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: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -390.941779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.941779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.941779 (E_RNA)
where:
Base-Base interactions energy: -277.933
where: short stacking energy: -110.137
Base-Backbone interact. energy: -1.228
local terms energy: -111.780899
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -31.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -171.371688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.371688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.371688 (E_RNA)
where:
Base-Base interactions energy: -86.938
where: short stacking energy: -56.830
Base-Backbone interact. energy: -0.310
local terms energy: -84.123358
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -9.384
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: 59
Temperature: 1.200000
Total energy: -132.074923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.074923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.074923 (E_RNA)
where:
Base-Base interactions energy: -56.282
where: short stacking energy: -44.096
Base-Backbone interact. energy: -1.050
local terms energy: -74.742403
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -132.118290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.118290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.118290 (E_RNA)
where:
Base-Base interactions energy: -56.745
where: short stacking energy: -43.641
Base-Backbone interact. energy: 0.011
local terms energy: -75.383901
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -5.555
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: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -120.967885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.967885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.967885 (E_RNA)
where:
Base-Base interactions energy: -43.541
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.158
local terms energy: -77.268513
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -110.987063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.987063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.987063 (E_RNA)
where:
Base-Base interactions energy: -40.369
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.166
local terms energy: -70.451852
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -3.280
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: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -424.093709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.093709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.093709 (E_RNA)
where:
Base-Base interactions energy: -294.870
where: short stacking energy: -122.801
Base-Backbone interact. energy: -1.312
local terms energy: -127.912050
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -38.985
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: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -412.355215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.355215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.355215 (E_RNA)
where:
Base-Base interactions energy: -290.391
where: short stacking energy: -120.505
Base-Backbone interact. energy: -0.654
local terms energy: -121.309705
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -25.031
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -33.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -414.819191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.819191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.819191 (E_RNA)
where:
Base-Base interactions energy: -293.120
where: short stacking energy: -117.838
Base-Backbone interact. energy: -0.440
local terms energy: -121.259524
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -25.202
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -32.290
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: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -403.253668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.253668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.253668 (E_RNA)
where:
Base-Base interactions energy: -285.193
where: short stacking energy: -118.300
Base-Backbone interact. energy: -0.001
local terms energy: -118.059681
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -36.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -390.745353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.745353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.745353 (E_RNA)
where:
Base-Base interactions energy: -281.658
where: short stacking energy: -115.219
Base-Backbone interact. energy: -0.003
local terms energy: -109.084777
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -32.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -178.446348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.446348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.446348 (E_RNA)
where:
Base-Base interactions energy: -88.279
where: short stacking energy: -55.548
Base-Backbone interact. energy: -0.234
local terms energy: -89.933308
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -16.994
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: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -128.261746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.261746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.261746 (E_RNA)
where:
Base-Base interactions energy: -57.873
where: short stacking energy: -46.867
Base-Backbone interact. energy: -0.338
local terms energy: -70.051015
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -116.999781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.999781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.999781 (E_RNA)
where:
Base-Base interactions energy: -43.987
where: short stacking energy: -43.987
Base-Backbone interact. energy: 1.922
local terms energy: -74.935268
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -106.618261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.618261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.618261 (E_RNA)
where:
Base-Base interactions energy: -36.237
where: short stacking energy: -36.237
Base-Backbone interact. energy: -0.504
local terms energy: -69.877648
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: 1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -116.832194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.832194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.832194 (E_RNA)
where:
Base-Base interactions energy: -48.426
where: short stacking energy: -41.872
Base-Backbone interact. energy: 0.608
local terms energy: -69.014618
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -6.581
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: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -420.879461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.879461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.879461 (E_RNA)
where:
Base-Base interactions energy: -292.857
where: short stacking energy: -122.682
Base-Backbone interact. energy: -0.623
local terms energy: -127.399666
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -25.864
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -34.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -415.899553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.899553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.899553 (E_RNA)
where:
Base-Base interactions energy: -291.856
where: short stacking energy: -119.579
Base-Backbone interact. energy: -0.002
local terms energy: -124.041610
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -34.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -412.844817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.844817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.844817 (E_RNA)
where:
Base-Base interactions energy: -295.104
where: short stacking energy: -118.408
Base-Backbone interact. energy: -0.589
local terms energy: -117.151206
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -34.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -397.585426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.585426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.585426 (E_RNA)
where:
Base-Base interactions energy: -290.063
where: short stacking energy: -120.871
Base-Backbone interact. energy: -0.678
local terms energy: -106.844539
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -34.673
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: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -396.385915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.385915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.385915 (E_RNA)
where:
Base-Base interactions energy: -285.150
where: short stacking energy: -115.534
Base-Backbone interact. energy: -0.274
local terms energy: -110.960995
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -35.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -207.507756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.507756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.507756 (E_RNA)
where:
Base-Base interactions energy: -126.619
where: short stacking energy: -64.096
Base-Backbone interact. energy: -1.666
local terms energy: -79.223663
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -7.432
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: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -137.837810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.837810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.837810 (E_RNA)
where:
Base-Base interactions energy: -72.839
where: short stacking energy: -48.025
Base-Backbone interact. energy: -0.288
local terms energy: -64.710458
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -7.601
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: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -106.862315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.862315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.862315 (E_RNA)
where:
Base-Base interactions energy: -44.612
where: short stacking energy: -39.363
Base-Backbone interact. energy: -0.514
local terms energy: -61.735453
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: 1.205
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: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -111.940458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.940458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.940458 (E_RNA)
where:
Base-Base interactions energy: -41.253
where: short stacking energy: -32.946
Base-Backbone interact. energy: -0.961
local terms energy: -69.726043
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -125.585234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.585234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.585234 (E_RNA)
where:
Base-Base interactions energy: -51.665
where: short stacking energy: -47.760
Base-Backbone interact. energy: 1.210
local terms energy: -75.130516
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -425.915638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.915638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.915638 (E_RNA)
where:
Base-Base interactions energy: -304.060
where: short stacking energy: -127.821
Base-Backbone interact. energy: -0.007
local terms energy: -121.848582
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -38.389
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: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -412.516433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.516433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.516433 (E_RNA)
where:
Base-Base interactions energy: -294.199
where: short stacking energy: -121.098
Base-Backbone interact. energy: 0.365
local terms energy: -118.682505
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -36.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -406.573668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.573668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.573668 (E_RNA)
where:
Base-Base interactions energy: -287.686
where: short stacking energy: -116.745
Base-Backbone interact. energy: -0.186
local terms energy: -118.701771
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -19.437
tors. eta vs tors. theta energy: -33.566
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: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -403.769911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.769911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.769911 (E_RNA)
where:
Base-Base interactions energy: -286.537
where: short stacking energy: -117.911
Base-Backbone interact. energy: -0.027
local terms energy: -117.206313
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -36.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -400.704897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.704897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.704897 (E_RNA)
where:
Base-Base interactions energy: -292.771
where: short stacking energy: -117.188
Base-Backbone interact. energy: -0.302
local terms energy: -107.632314
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -33.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -246.822476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.822476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.822476 (E_RNA)
where:
Base-Base interactions energy: -160.021
where: short stacking energy: -60.797
Base-Backbone interact. energy: -1.473
local terms energy: -85.328226
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -166.094227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.094227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.094227 (E_RNA)
where:
Base-Base interactions energy: -78.688
where: short stacking energy: -61.283
Base-Backbone interact. energy: -0.084
local terms energy: -87.322094
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -125.512401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.512401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.512401 (E_RNA)
where:
Base-Base interactions energy: -56.176
where: short stacking energy: -40.628
Base-Backbone interact. energy: -1.354
local terms energy: -67.981904
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -107.443322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.443322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.443322 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -35.044
Base-Backbone interact. energy: -0.456
local terms energy: -68.067558
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -15.443
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: 10, replica: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -104.013863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.013863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.013863 (E_RNA)
where:
Base-Base interactions energy: -37.666
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.473
local terms energy: -65.875079
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: 2.101
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: 63
Temperature: 0.900000
Total energy: -409.764968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.764968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.764968 (E_RNA)
where:
Base-Base interactions energy: -289.825
where: short stacking energy: -117.826
Base-Backbone interact. energy: -0.811
local terms energy: -119.129078
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -26.687
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -33.180
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: 63
Temperature: 0.950000
Total energy: -414.573780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.573780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.573780 (E_RNA)
where:
Base-Base interactions energy: -291.348
where: short stacking energy: -118.239
Base-Backbone interact. energy: -0.311
local terms energy: -122.914159
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -33.956
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: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -412.630145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.630145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.630145 (E_RNA)
where:
Base-Base interactions energy: -288.882
where: short stacking energy: -117.693
Base-Backbone interact. energy: -0.638
local terms energy: -123.110066
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -35.732
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: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -403.258950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.258950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.258950 (E_RNA)
where:
Base-Base interactions energy: -280.325
where: short stacking energy: -110.124
Base-Backbone interact. energy: -0.027
local terms energy: -122.907205
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -14.849
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: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -390.426781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.426781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.426781 (E_RNA)
where:
Base-Base interactions energy: -272.453
where: short stacking energy: -109.109
Base-Backbone interact. energy: -0.160
local terms energy: -117.814131
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -35.953
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: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -267.184785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.184785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.184785 (E_RNA)
where:
Base-Base interactions energy: -173.679
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.362
local terms energy: -93.144158
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.002
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: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -165.630347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.630347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.630347 (E_RNA)
where:
Base-Base interactions energy: -85.784
where: short stacking energy: -49.722
Base-Backbone interact. energy: -1.603
local terms energy: -78.243593
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -114.409671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.409671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.409671 (E_RNA)
where:
Base-Base interactions energy: -48.185
where: short stacking energy: -38.482
Base-Backbone interact. energy: 1.318
local terms energy: -67.542256
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -24.152
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -112.761209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.761209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.761209 (E_RNA)
where:
Base-Base interactions energy: -46.957
where: short stacking energy: -26.096
Base-Backbone interact. energy: 0.445
local terms energy: -66.249933
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -101.119905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.119905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.119905 (E_RNA)
where:
Base-Base interactions energy: -31.822
where: short stacking energy: -26.962
Base-Backbone interact. energy: 0.599
local terms energy: -69.896902
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -1.544
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: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -414.978678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.978678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.978678 (E_RNA)
where:
Base-Base interactions energy: -295.657
where: short stacking energy: -121.613
Base-Backbone interact. energy: -0.002
local terms energy: -119.320237
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -34.643
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: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -420.078573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.078573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.078573 (E_RNA)
where:
Base-Base interactions energy: -296.118
where: short stacking energy: -123.981
Base-Backbone interact. energy: -0.083
local terms energy: -123.877257
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -35.318
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: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -406.997302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.997302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.997302 (E_RNA)
where:
Base-Base interactions energy: -286.692
where: short stacking energy: -117.292
Base-Backbone interact. energy: -0.009
local terms energy: -120.296245
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -34.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -413.017545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.017545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.017545 (E_RNA)
where:
Base-Base interactions energy: -286.165
where: short stacking energy: -117.357
Base-Backbone interact. energy: -0.029
local terms energy: -126.823441
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -19.064
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: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -397.921257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.921257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.921257 (E_RNA)
where:
Base-Base interactions energy: -285.964
where: short stacking energy: -118.332
Base-Backbone interact. energy: -0.079
local terms energy: -111.878955
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -36.263
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: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -271.206972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.206972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.206972 (E_RNA)
where:
Base-Base interactions energy: -188.836
where: short stacking energy: -74.796
Base-Backbone interact. energy: -1.426
local terms energy: -80.945509
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -9.350
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -12.536
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: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -124.936169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.936169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.936169 (E_RNA)
where:
Base-Base interactions energy: -44.659
where: short stacking energy: -41.316
Base-Backbone interact. energy: 0.436
local terms energy: -80.713059
where:
bonds (distance) C4'-P energy: -22.709
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -128.658914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.658914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.658914 (E_RNA)
where:
Base-Base interactions energy: -62.605
where: short stacking energy: -38.945
Base-Backbone interact. energy: -0.864
local terms energy: -65.190224
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -124.346675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.346675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.346675 (E_RNA)
where:
Base-Base interactions energy: -68.154
where: short stacking energy: -28.237
Base-Backbone interact. energy: -0.322
local terms energy: -55.871056
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: 1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -112.927704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.927704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.927704 (E_RNA)
where:
Base-Base interactions energy: -44.488
where: short stacking energy: -43.124
Base-Backbone interact. energy: -0.215
local terms energy: -68.224737
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: 0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -419.501423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.501423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.501423 (E_RNA)
where:
Base-Base interactions energy: -301.498
where: short stacking energy: -126.951
Base-Backbone interact. energy: -0.506
local terms energy: -117.497567
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -32.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -414.692534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.692534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.692534 (E_RNA)
where:
Base-Base interactions energy: -293.802
where: short stacking energy: -122.175
Base-Backbone interact. energy: -0.184
local terms energy: -120.705916
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -34.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -408.244910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.244910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.244910 (E_RNA)
where:
Base-Base interactions energy: -287.123
where: short stacking energy: -123.018
Base-Backbone interact. energy: -0.393
local terms energy: -120.729179
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -35.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -406.567232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.567232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.567232 (E_RNA)
where:
Base-Base interactions energy: -290.606
where: short stacking energy: -118.632
Base-Backbone interact. energy: -0.232
local terms energy: -115.728713
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -34.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -402.926395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.926395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.926395 (E_RNA)
where:
Base-Base interactions energy: -281.049
where: short stacking energy: -118.736
Base-Backbone interact. energy: -0.205
local terms energy: -121.671732
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -35.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -281.424188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.424188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.424188 (E_RNA)
where:
Base-Base interactions energy: -187.557
where: short stacking energy: -88.894
Base-Backbone interact. energy: 1.843
local terms energy: -95.710482
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -24.185
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: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -141.997283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.997283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.997283 (E_RNA)
where:
Base-Base interactions energy: -64.369
where: short stacking energy: -46.982
Base-Backbone interact. energy: -0.531
local terms energy: -77.097758
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -10.216
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: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -125.887877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.887877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.887877 (E_RNA)
where:
Base-Base interactions energy: -53.424
where: short stacking energy: -42.606
Base-Backbone interact. energy: 0.183
local terms energy: -72.647191
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -10.977
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: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -116.725031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.725031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.725031 (E_RNA)
where:
Base-Base interactions energy: -51.066
where: short stacking energy: -51.066
Base-Backbone interact. energy: 0.673
local terms energy: -66.332549
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -10.593
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: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -103.504578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.504578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.504578 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -23.879
Base-Backbone interact. energy: 1.645
local terms energy: -73.901463
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -421.591087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.591087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.591087 (E_RNA)
where:
Base-Base interactions energy: -299.354
where: short stacking energy: -122.541
Base-Backbone interact. energy: -0.306
local terms energy: -121.931543
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -35.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -419.387808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.387808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.387808 (E_RNA)
where:
Base-Base interactions energy: -300.644
where: short stacking energy: -124.778
Base-Backbone interact. energy: -0.168
local terms energy: -118.576094
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -32.204
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: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -412.212583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.212583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.212583 (E_RNA)
where:
Base-Base interactions energy: -289.067
where: short stacking energy: -117.140
Base-Backbone interact. energy: -0.009
local terms energy: -123.136679
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -35.870
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: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -408.518398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.518398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.518398 (E_RNA)
where:
Base-Base interactions energy: -289.135
where: short stacking energy: -125.204
Base-Backbone interact. energy: -0.685
local terms energy: -118.698651
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -35.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -396.579253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.579253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.579253 (E_RNA)
where:
Base-Base interactions energy: -286.327
where: short stacking energy: -115.555
Base-Backbone interact. energy: 0.743
local terms energy: -110.995790
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -31.186
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: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -278.111007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.111007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.111007 (E_RNA)
where:
Base-Base interactions energy: -184.814
where: short stacking energy: -75.736
Base-Backbone interact. energy: -0.805
local terms energy: -92.491849
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -175.568500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.568500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.568500 (E_RNA)
where:
Base-Base interactions energy: -91.453
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.552
local terms energy: -83.563420
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -114.029165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.029165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.029165 (E_RNA)
where:
Base-Base interactions energy: -56.134
where: short stacking energy: -34.278
Base-Backbone interact. energy: -0.433
local terms energy: -57.461603
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -6.324
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -112.501885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.501885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.501885 (E_RNA)
where:
Base-Base interactions energy: -39.977
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.191
local terms energy: -72.334074
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -97.960056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.960056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.960056 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -35.890
Base-Backbone interact. energy: 1.846
local terms energy: -62.831569
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -421.705053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.705053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.705053 (E_RNA)
where:
Base-Base interactions energy: -298.883
where: short stacking energy: -121.217
Base-Backbone interact. energy: -0.003
local terms energy: -122.819453
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -36.731
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: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -416.282172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.282172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.282172 (E_RNA)
where:
Base-Base interactions energy: -293.508
where: short stacking energy: -120.893
Base-Backbone interact. energy: 2.121
local terms energy: -124.895308
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -35.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -412.660526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.660526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.660526 (E_RNA)
where:
Base-Base interactions energy: -287.674
where: short stacking energy: -124.227
Base-Backbone interact. energy: -0.100
local terms energy: -124.886015
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -35.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -400.283467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.283467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.283467 (E_RNA)
where:
Base-Base interactions energy: -286.842
where: short stacking energy: -116.251
Base-Backbone interact. energy: -0.002
local terms energy: -113.439585
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -35.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -398.300218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.300218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.300218 (E_RNA)
where:
Base-Base interactions energy: -286.153
where: short stacking energy: -121.053
Base-Backbone interact. energy: -0.355
local terms energy: -111.792314
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -34.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -272.735884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.735884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.735884 (E_RNA)
where:
Base-Base interactions energy: -176.735
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.146
local terms energy: -95.854906
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -198.880444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.880444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.880444 (E_RNA)
where:
Base-Base interactions energy: -118.490
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.021
local terms energy: -80.369097
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -120.506955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.506955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.506955 (E_RNA)
where:
Base-Base interactions energy: -36.927
where: short stacking energy: -36.462
Base-Backbone interact. energy: -1.489
local terms energy: -82.090907
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -2.938
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: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -112.100297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.100297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.100297 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -29.112
Base-Backbone interact. energy: -0.217
local terms energy: -70.862466
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -102.499173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.499173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.499173 (E_RNA)
where:
Base-Base interactions energy: -39.401
where: short stacking energy: -31.691
Base-Backbone interact. energy: -0.015
local terms energy: -63.082772
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: 2.904
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: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -427.766709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.766709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.766709 (E_RNA)
where:
Base-Base interactions energy: -300.971
where: short stacking energy: -118.801
Base-Backbone interact. energy: -0.365
local terms energy: -126.430449
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -34.749
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: 68
Temperature: 0.950000
Total energy: -418.034482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.034482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.034482 (E_RNA)
where:
Base-Base interactions energy: -298.201
where: short stacking energy: -124.219
Base-Backbone interact. energy: -0.004
local terms energy: -119.829139
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -15.896
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: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -411.506739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.506739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.506739 (E_RNA)
where:
Base-Base interactions energy: -295.275
where: short stacking energy: -128.467
Base-Backbone interact. energy: -0.010
local terms energy: -116.221865
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -33.806
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: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -401.561726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.561726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.561726 (E_RNA)
where:
Base-Base interactions energy: -280.343
where: short stacking energy: -114.304
Base-Backbone interact. energy: -0.594
local terms energy: -120.624862
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -15.814
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: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -391.299626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.299626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.299626 (E_RNA)
where:
Base-Base interactions energy: -281.458
where: short stacking energy: -122.675
Base-Backbone interact. energy: -0.014
local terms energy: -109.827952
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -33.624
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: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -237.793953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.793953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.793953 (E_RNA)
where:
Base-Base interactions energy: -153.788
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.618
local terms energy: -83.388672
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -16.646
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: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -159.515532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.515532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.515532 (E_RNA)
where:
Base-Base interactions energy: -82.991
where: short stacking energy: -46.647
Base-Backbone interact. energy: -1.149
local terms energy: -75.375303
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -133.901464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.901464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.901464 (E_RNA)
where:
Base-Base interactions energy: -50.022
where: short stacking energy: -31.282
Base-Backbone interact. energy: -0.323
local terms energy: -83.556536
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -103.189437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.189437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.189437 (E_RNA)
where:
Base-Base interactions energy: -38.077
where: short stacking energy: -34.091
Base-Backbone interact. energy: 0.299
local terms energy: -65.411975
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: 3.406
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: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -107.564496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.564496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.564496 (E_RNA)
where:
Base-Base interactions energy: -55.689
where: short stacking energy: -39.822
Base-Backbone interact. energy: 0.074
local terms energy: -51.950379
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -424.474065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.474065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.474065 (E_RNA)
where:
Base-Base interactions energy: -297.484
where: short stacking energy: -124.795
Base-Backbone interact. energy: -0.001
local terms energy: -126.989496
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -21.368
tors. eta vs tors. theta energy: -38.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -413.064331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.064331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.064331 (E_RNA)
where:
Base-Base interactions energy: -293.191
where: short stacking energy: -123.703
Base-Backbone interact. energy: -0.001
local terms energy: -119.872112
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -21.015
tors. eta vs tors. theta energy: -34.851
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: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -417.683940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.683940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.683940 (E_RNA)
where:
Base-Base interactions energy: -295.670
where: short stacking energy: -118.920
Base-Backbone interact. energy: -0.004
local terms energy: -122.009130
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -24.521
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -34.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -410.128548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.128548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.128548 (E_RNA)
where:
Base-Base interactions energy: -294.899
where: short stacking energy: -123.323
Base-Backbone interact. energy: -0.505
local terms energy: -114.724241
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -33.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -400.661710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.661710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.661710 (E_RNA)
where:
Base-Base interactions energy: -287.853
where: short stacking energy: -115.685
Base-Backbone interact. energy: -0.835
local terms energy: -111.974214
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -34.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -213.858953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.858953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.858953 (E_RNA)
where:
Base-Base interactions energy: -117.678
where: short stacking energy: -67.903
Base-Backbone interact. energy: 0.295
local terms energy: -96.475710
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -124.492910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.492910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.492910 (E_RNA)
where:
Base-Base interactions energy: -51.448
where: short stacking energy: -46.227
Base-Backbone interact. energy: 0.303
local terms energy: -73.348442
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -153.337641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.337641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.337641 (E_RNA)
where:
Base-Base interactions energy: -93.914
where: short stacking energy: -51.684
Base-Backbone interact. energy: -1.180
local terms energy: -58.242934
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -121.791940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.791940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.791940 (E_RNA)
where:
Base-Base interactions energy: -48.825
where: short stacking energy: -43.297
Base-Backbone interact. energy: 3.177
local terms energy: -76.143509
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -4.163
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: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -124.265224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.265224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.265224 (E_RNA)
where:
Base-Base interactions energy: -57.451
where: short stacking energy: -41.636
Base-Backbone interact. energy: 2.987
local terms energy: -69.801293
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -420.954849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.954849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.954849 (E_RNA)
where:
Base-Base interactions energy: -300.327
where: short stacking energy: -125.091
Base-Backbone interact. energy: -0.000
local terms energy: -120.627241
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -33.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -416.504257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.504257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.504257 (E_RNA)
where:
Base-Base interactions energy: -292.857
where: short stacking energy: -122.936
Base-Backbone interact. energy: -0.697
local terms energy: -122.949785
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -34.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -411.711564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.711564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.711564 (E_RNA)
where:
Base-Base interactions energy: -302.251
where: short stacking energy: -130.121
Base-Backbone interact. energy: -0.001
local terms energy: -109.459987
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -35.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -409.272309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.272309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.272309 (E_RNA)
where:
Base-Base interactions energy: -293.169
where: short stacking energy: -121.855
Base-Backbone interact. energy: -0.348
local terms energy: -115.755490
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -38.021
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: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -396.108791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.108791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.108791 (E_RNA)
where:
Base-Base interactions energy: -282.537
where: short stacking energy: -118.273
Base-Backbone interact. energy: -0.076
local terms energy: -113.495499
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -34.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -224.847716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.847716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.847716 (E_RNA)
where:
Base-Base interactions energy: -134.402
where: short stacking energy: -70.176
Base-Backbone interact. energy: -0.245
local terms energy: -90.200107
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -150.579103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.579103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.579103 (E_RNA)
where:
Base-Base interactions energy: -77.968
where: short stacking energy: -44.369
Base-Backbone interact. energy: -0.245
local terms energy: -72.365879
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -128.067148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.067148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.067148 (E_RNA)
where:
Base-Base interactions energy: -58.350
where: short stacking energy: -44.230
Base-Backbone interact. energy: -0.780
local terms energy: -68.937184
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -7.634
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -109.278311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.278311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.278311 (E_RNA)
where:
Base-Base interactions energy: -37.974
where: short stacking energy: -36.128
Base-Backbone interact. energy: -0.135
local terms energy: -71.169527
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -103.131887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.131887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.131887 (E_RNA)
where:
Base-Base interactions energy: -30.874
where: short stacking energy: -25.648
Base-Backbone interact. energy: 0.047
local terms energy: -72.305101
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -417.588520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.588520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.588520 (E_RNA)
where:
Base-Base interactions energy: -291.820
where: short stacking energy: -115.327
Base-Backbone interact. energy: 1.644
local terms energy: -127.412565
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -37.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -414.278834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.278834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.278834 (E_RNA)
where:
Base-Base interactions energy: -295.191
where: short stacking energy: -121.282
Base-Backbone interact. energy: -0.122
local terms energy: -118.965383
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -37.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -404.347063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.347063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.347063 (E_RNA)
where:
Base-Base interactions energy: -287.752
where: short stacking energy: -113.183
Base-Backbone interact. energy: -0.227
local terms energy: -116.367496
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -36.087
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: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -410.238574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.238574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.238574 (E_RNA)
where:
Base-Base interactions energy: -290.688
where: short stacking energy: -126.541
Base-Backbone interact. energy: -0.030
local terms energy: -119.520912
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -36.197
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: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -402.841330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.841330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.841330 (E_RNA)
where:
Base-Base interactions energy: -289.504
where: short stacking energy: -117.832
Base-Backbone interact. energy: -0.073
local terms energy: -113.264350
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -32.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -232.427730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.427730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.427730 (E_RNA)
where:
Base-Base interactions energy: -148.411
where: short stacking energy: -73.937
Base-Backbone interact. energy: 0.782
local terms energy: -84.798371
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -18.118
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: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -132.875462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.875462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.875462 (E_RNA)
where:
Base-Base interactions energy: -49.476
where: short stacking energy: -49.395
Base-Backbone interact. energy: 0.958
local terms energy: -84.358141
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -13.892
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: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -122.709138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.709138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.709138 (E_RNA)
where:
Base-Base interactions energy: -57.868
where: short stacking energy: -28.518
Base-Backbone interact. energy: -0.395
local terms energy: -64.445654
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: 2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -115.795793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.795793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.795793 (E_RNA)
where:
Base-Base interactions energy: -44.620
where: short stacking energy: -37.584
Base-Backbone interact. energy: -0.281
local terms energy: -70.895179
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -102.300350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.300350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.300350 (E_RNA)
where:
Base-Base interactions energy: -38.717
where: short stacking energy: -38.496
Base-Backbone interact. energy: -0.358
local terms energy: -63.225318
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: 1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -422.355888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.355888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.355888 (E_RNA)
where:
Base-Base interactions energy: -292.486
where: short stacking energy: -115.269
Base-Backbone interact. energy: -0.001
local terms energy: -129.869321
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -36.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -415.303876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.303876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.303876 (E_RNA)
where:
Base-Base interactions energy: -299.612
where: short stacking energy: -127.828
Base-Backbone interact. energy: -0.174
local terms energy: -115.518171
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -17.361
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: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -408.874861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.874861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.874861 (E_RNA)
where:
Base-Base interactions energy: -287.347
where: short stacking energy: -121.072
Base-Backbone interact. energy: -0.124
local terms energy: -121.404594
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -37.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -396.300426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.300426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.300426 (E_RNA)
where:
Base-Base interactions energy: -277.188
where: short stacking energy: -111.891
Base-Backbone interact. energy: -0.543
local terms energy: -118.569509
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -34.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -395.787050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.787050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.787050 (E_RNA)
where:
Base-Base interactions energy: -278.699
where: short stacking energy: -121.465
Base-Backbone interact. energy: -0.003
local terms energy: -117.085034
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -35.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -263.062038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.062038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.062038 (E_RNA)
where:
Base-Base interactions energy: -180.416
where: short stacking energy: -79.499
Base-Backbone interact. energy: -0.154
local terms energy: -82.492151
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -159.292551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.292551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.292551 (E_RNA)
where:
Base-Base interactions energy: -78.555
where: short stacking energy: -44.254
Base-Backbone interact. energy: -0.013
local terms energy: -80.724909
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -117.471588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.471588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.471588 (E_RNA)
where:
Base-Base interactions energy: -42.021
where: short stacking energy: -41.914
Base-Backbone interact. energy: -0.287
local terms energy: -75.163014
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -7.388
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: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -120.279817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.279817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.279817 (E_RNA)
where:
Base-Base interactions energy: -47.182
where: short stacking energy: -47.182
Base-Backbone interact. energy: -0.101
local terms energy: -72.997259
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -105.504559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.504559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.504559 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -28.569
Base-Backbone interact. energy: -0.629
local terms energy: -69.939094
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -17.260
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: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -427.510691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.510691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.510691 (E_RNA)
where:
Base-Base interactions energy: -301.011
where: short stacking energy: -125.297
Base-Backbone interact. energy: -0.169
local terms energy: -126.330869
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -21.897
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -409.608293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.608293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.608293 (E_RNA)
where:
Base-Base interactions energy: -289.900
where: short stacking energy: -117.907
Base-Backbone interact. energy: -0.843
local terms energy: -118.865779
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -33.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -409.056710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.056710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.056710 (E_RNA)
where:
Base-Base interactions energy: -291.338
where: short stacking energy: -122.074
Base-Backbone interact. energy: 0.050
local terms energy: -117.768817
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -34.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -403.603317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.603317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.603317 (E_RNA)
where:
Base-Base interactions energy: -287.100
where: short stacking energy: -112.818
Base-Backbone interact. energy: -0.121
local terms energy: -116.382467
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -32.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -406.079416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.079416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.079416 (E_RNA)
where:
Base-Base interactions energy: -284.761
where: short stacking energy: -115.184
Base-Backbone interact. energy: -0.004
local terms energy: -121.314931
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -32.760
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: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -271.192806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.192806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.192806 (E_RNA)
where:
Base-Base interactions energy: -185.562
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.775
local terms energy: -84.855282
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -12.345
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: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -167.145818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.145818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.145818 (E_RNA)
where:
Base-Base interactions energy: -94.556
where: short stacking energy: -60.901
Base-Backbone interact. energy: 0.665
local terms energy: -73.255345
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -14.557
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: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -119.190802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.190802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.190802 (E_RNA)
where:
Base-Base interactions energy: -47.747
where: short stacking energy: -45.438
Base-Backbone interact. energy: -0.055
local terms energy: -71.389197
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -2.199
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: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -115.752248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.752248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.752248 (E_RNA)
where:
Base-Base interactions energy: -45.221
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.746
local terms energy: -69.784831
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -13.723
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: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -111.720279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.720279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.720279 (E_RNA)
where:
Base-Base interactions energy: -52.312
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.002
local terms energy: -59.406901
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: 7.840
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: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -422.782839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.782839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.782839 (E_RNA)
where:
Base-Base interactions energy: -296.847
where: short stacking energy: -124.568
Base-Backbone interact. energy: -0.437
local terms energy: -125.498316
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -36.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -410.787543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.787543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.787543 (E_RNA)
where:
Base-Base interactions energy: -285.434
where: short stacking energy: -114.517
Base-Backbone interact. energy: -0.038
local terms energy: -125.315132
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -26.663
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -35.580
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: 74
Temperature: 1.000000
Total energy: -409.381283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.381283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.381283 (E_RNA)
where:
Base-Base interactions energy: -289.212
where: short stacking energy: -117.341
Base-Backbone interact. energy: -0.209
local terms energy: -119.960790
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -35.897
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: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -404.684378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.684378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.684378 (E_RNA)
where:
Base-Base interactions energy: -297.459
where: short stacking energy: -123.284
Base-Backbone interact. energy: -0.003
local terms energy: -107.222016
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -34.125
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: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -395.564473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.564473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.564473 (E_RNA)
where:
Base-Base interactions energy: -270.587
where: short stacking energy: -109.899
Base-Backbone interact. energy: -0.594
local terms energy: -124.383811
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -35.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -271.985907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.985907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.985907 (E_RNA)
where:
Base-Base interactions energy: -173.047
where: short stacking energy: -74.994
Base-Backbone interact. energy: -0.393
local terms energy: -98.545307
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -163.734252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.734252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.734252 (E_RNA)
where:
Base-Base interactions energy: -89.126
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.333
local terms energy: -74.275571
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -138.387371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.387371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.387371 (E_RNA)
where:
Base-Base interactions energy: -64.867
where: short stacking energy: -43.491
Base-Backbone interact. energy: 0.192
local terms energy: -73.712810
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -111.733627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.733627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.733627 (E_RNA)
where:
Base-Base interactions energy: -52.652
where: short stacking energy: -19.065
Base-Backbone interact. energy: 0.321
local terms energy: -59.402714
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: 0.632
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: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -113.952672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.952672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.952672 (E_RNA)
where:
Base-Base interactions energy: -40.521
where: short stacking energy: -40.521
Base-Backbone interact. energy: -0.097
local terms energy: -73.334519
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -5.215
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: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -423.246611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.246611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.246611 (E_RNA)
where:
Base-Base interactions energy: -295.972
where: short stacking energy: -127.308
Base-Backbone interact. energy: -0.005
local terms energy: -127.269501
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -25.965
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -36.819
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: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -413.185523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.185523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.185523 (E_RNA)
where:
Base-Base interactions energy: -286.598
where: short stacking energy: -114.048
Base-Backbone interact. energy: 0.656
local terms energy: -127.243243
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -35.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -409.167038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.167038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.167038 (E_RNA)
where:
Base-Base interactions energy: -291.829
where: short stacking energy: -118.696
Base-Backbone interact. energy: -0.122
local terms energy: -117.216090
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -24.302
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -35.244
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: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -402.365300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.365300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.365300 (E_RNA)
where:
Base-Base interactions energy: -286.994
where: short stacking energy: -114.858
Base-Backbone interact. energy: -0.015
local terms energy: -115.356264
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -19.154
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: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -393.397789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.397789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.397789 (E_RNA)
where:
Base-Base interactions energy: -284.204
where: short stacking energy: -122.868
Base-Backbone interact. energy: -0.800
local terms energy: -108.394703
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -35.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -264.450061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.450061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.450061 (E_RNA)
where:
Base-Base interactions energy: -172.490
where: short stacking energy: -73.912
Base-Backbone interact. energy: -1.045
local terms energy: -90.914741
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -20.994
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: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -163.448074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.448074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.448074 (E_RNA)
where:
Base-Base interactions energy: -80.827
where: short stacking energy: -50.023
Base-Backbone interact. energy: 0.318
local terms energy: -82.938948
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -18.710
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: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -141.382546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.382546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.382546 (E_RNA)
where:
Base-Base interactions energy: -78.613
where: short stacking energy: -31.726
Base-Backbone interact. energy: 0.211
local terms energy: -62.980769
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: 2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -109.995076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.995076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.995076 (E_RNA)
where:
Base-Base interactions energy: -45.138
where: short stacking energy: -25.618
Base-Backbone interact. energy: -1.680
local terms energy: -63.176802
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: 6.029
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: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -113.936547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.936547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.936547 (E_RNA)
where:
Base-Base interactions energy: -40.659
where: short stacking energy: -27.974
Base-Backbone interact. energy: 0.258
local terms energy: -73.535973
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -423.140619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.140619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.140619 (E_RNA)
where:
Base-Base interactions energy: -299.975
where: short stacking energy: -120.695
Base-Backbone interact. energy: -0.006
local terms energy: -123.160052
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -37.138
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: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -418.606857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.606857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.606857 (E_RNA)
where:
Base-Base interactions energy: -299.427
where: short stacking energy: -126.517
Base-Backbone interact. energy: -0.219
local terms energy: -118.961346
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -15.459
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: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -413.411262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.411262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.411262 (E_RNA)
where:
Base-Base interactions energy: -290.034
where: short stacking energy: -119.613
Base-Backbone interact. energy: -0.310
local terms energy: -123.067861
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -35.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -403.386140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.386140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.386140 (E_RNA)
where:
Base-Base interactions energy: -280.665
where: short stacking energy: -116.277
Base-Backbone interact. energy: -0.797
local terms energy: -121.924045
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -34.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -402.323323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.323323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.323323 (E_RNA)
where:
Base-Base interactions energy: -286.151
where: short stacking energy: -117.265
Base-Backbone interact. energy: -0.157
local terms energy: -116.015110
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -22.403
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -33.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -263.564570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.564570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.564570 (E_RNA)
where:
Base-Base interactions energy: -179.904
where: short stacking energy: -68.540
Base-Backbone interact. energy: -1.449
local terms energy: -82.211789
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -131.769145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.769145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.769145 (E_RNA)
where:
Base-Base interactions energy: -55.398
where: short stacking energy: -36.091
Base-Backbone interact. energy: -0.255
local terms energy: -76.116410
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -158.408233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.408233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.408233 (E_RNA)
where:
Base-Base interactions energy: -87.839
where: short stacking energy: -50.576
Base-Backbone interact. energy: -0.274
local terms energy: -70.294830
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -3.972
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: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -113.292653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.292653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.292653 (E_RNA)
where:
Base-Base interactions energy: -36.497
where: short stacking energy: -31.730
Base-Backbone interact. energy: 0.031
local terms energy: -76.827367
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -3.129
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: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -108.578606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.578606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.578606 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -39.326
Base-Backbone interact. energy: -0.093
local terms energy: -61.360852
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -429.718950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.718950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.718950 (E_RNA)
where:
Base-Base interactions energy: -306.398
where: short stacking energy: -118.272
Base-Backbone interact. energy: -0.165
local terms energy: -123.155487
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -37.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -414.180666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.180666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.180666 (E_RNA)
where:
Base-Base interactions energy: -292.001
where: short stacking energy: -127.225
Base-Backbone interact. energy: -0.212
local terms energy: -121.967448
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -36.475
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: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -411.054951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.054951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.054951 (E_RNA)
where:
Base-Base interactions energy: -290.125
where: short stacking energy: -116.935
Base-Backbone interact. energy: -0.014
local terms energy: -120.915860
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -38.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -411.837350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.837350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.837350 (E_RNA)
where:
Base-Base interactions energy: -295.456
where: short stacking energy: -127.592
Base-Backbone interact. energy: 0.387
local terms energy: -116.767929
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -36.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -395.932033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.932033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.932033 (E_RNA)
where:
Base-Base interactions energy: -279.331
where: short stacking energy: -113.307
Base-Backbone interact. energy: -0.155
local terms energy: -116.445415
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -32.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -286.002457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.002457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.002457 (E_RNA)
where:
Base-Base interactions energy: -196.941
where: short stacking energy: -91.880
Base-Backbone interact. energy: -0.656
local terms energy: -88.405277
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -147.185637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.185637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.185637 (E_RNA)
where:
Base-Base interactions energy: -81.630
where: short stacking energy: -43.306
Base-Backbone interact. energy: -0.343
local terms energy: -65.213297
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -3.293
tors. eta vs tors. theta energy: -7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -151.290357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.290357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.290357 (E_RNA)
where:
Base-Base interactions energy: -77.837
where: short stacking energy: -41.816
Base-Backbone interact. energy: -0.848
local terms energy: -72.604949
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -4.308
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: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -113.784508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.784508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.784508 (E_RNA)
where:
Base-Base interactions energy: -58.457
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.482
local terms energy: -54.845051
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: 1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -115.834592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.834592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.834592 (E_RNA)
where:
Base-Base interactions energy: -41.523
where: short stacking energy: -36.128
Base-Backbone interact. energy: 1.032
local terms energy: -75.343291
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -4.752
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: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -417.412338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.412338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.412338 (E_RNA)
where:
Base-Base interactions energy: -296.776
where: short stacking energy: -123.223
Base-Backbone interact. energy: 1.339
local terms energy: -121.975788
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -35.768
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: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -415.306051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.306051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.306051 (E_RNA)
where:
Base-Base interactions energy: -282.086
where: short stacking energy: -114.674
Base-Backbone interact. energy: -0.002
local terms energy: -133.218235
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -21.390
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: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -408.863810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.863810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.863810 (E_RNA)
where:
Base-Base interactions energy: -288.796
where: short stacking energy: -123.733
Base-Backbone interact. energy: 0.736
local terms energy: -120.803574
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -36.126
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: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -404.230283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.230283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.230283 (E_RNA)
where:
Base-Base interactions energy: -283.121
where: short stacking energy: -114.030
Base-Backbone interact. energy: -0.630
local terms energy: -120.478316
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -34.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -403.931099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.931099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.931099 (E_RNA)
where:
Base-Base interactions energy: -286.016
where: short stacking energy: -118.943
Base-Backbone interact. energy: 1.581
local terms energy: -119.495516
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -36.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -258.030116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.030116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.030116 (E_RNA)
where:
Base-Base interactions energy: -171.306
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.054
local terms energy: -86.670455
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -14.052
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: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -172.907877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.907877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.907877 (E_RNA)
where:
Base-Base interactions energy: -96.697
where: short stacking energy: -58.242
Base-Backbone interact. energy: 0.851
local terms energy: -77.062436
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -9.611
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: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -168.673045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.673045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.673045 (E_RNA)
where:
Base-Base interactions energy: -84.523
where: short stacking energy: -55.960
Base-Backbone interact. energy: -0.189
local terms energy: -83.961589
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -7.538
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: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -121.142436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.142436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.142436 (E_RNA)
where:
Base-Base interactions energy: -56.785
where: short stacking energy: -46.395
Base-Backbone interact. energy: 2.805
local terms energy: -67.163155
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -4.830
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: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -105.494480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.494480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.494480 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -31.422
Base-Backbone interact. energy: -0.206
local terms energy: -65.468235
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -430.445431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.445431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.445431 (E_RNA)
where:
Base-Base interactions energy: -301.741
where: short stacking energy: -125.086
Base-Backbone interact. energy: -0.001
local terms energy: -128.703894
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -38.097
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: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -416.954518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.954518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.954518 (E_RNA)
where:
Base-Base interactions energy: -294.742
where: short stacking energy: -125.723
Base-Backbone interact. energy: -0.111
local terms energy: -122.101528
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -19.519
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: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -420.756907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.756907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.756907 (E_RNA)
where:
Base-Base interactions energy: -293.086
where: short stacking energy: -125.022
Base-Backbone interact. energy: -0.327
local terms energy: -127.343625
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -34.114
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: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -410.346975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.346975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.346975 (E_RNA)
where:
Base-Base interactions energy: -283.803
where: short stacking energy: -118.773
Base-Backbone interact. energy: -0.368
local terms energy: -126.176189
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -36.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -407.542561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.542561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.542561 (E_RNA)
where:
Base-Base interactions energy: -289.274
where: short stacking energy: -115.784
Base-Backbone interact. energy: -0.001
local terms energy: -118.268151
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -35.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -276.533327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.533327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.533327 (E_RNA)
where:
Base-Base interactions energy: -187.519
where: short stacking energy: -81.093
Base-Backbone interact. energy: 1.321
local terms energy: -90.335465
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -180.821267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.821267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.821267 (E_RNA)
where:
Base-Base interactions energy: -97.787
where: short stacking energy: -44.632
Base-Backbone interact. energy: -0.016
local terms energy: -83.017653
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -7.128
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: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -161.390891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.390891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.390891 (E_RNA)
where:
Base-Base interactions energy: -89.034
where: short stacking energy: -44.391
Base-Backbone interact. energy: -0.792
local terms energy: -71.565048
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -121.120166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.120166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.120166 (E_RNA)
where:
Base-Base interactions energy: -57.042
where: short stacking energy: -37.799
Base-Backbone interact. energy: 0.491
local terms energy: -64.568762
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -8.179
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: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -109.651433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.651433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.651433 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -33.945
Base-Backbone interact. energy: -0.188
local terms energy: -75.283670
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: 3.204
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: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -420.047584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.047584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.047584 (E_RNA)
where:
Base-Base interactions energy: -297.456
where: short stacking energy: -120.913
Base-Backbone interact. energy: -0.034
local terms energy: -122.557765
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -37.052
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: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -411.982222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.982222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.982222 (E_RNA)
where:
Base-Base interactions energy: -285.607
where: short stacking energy: -113.950
Base-Backbone interact. energy: -0.002
local terms energy: -126.372595
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -20.628
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: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -419.178816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.178816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.178816 (E_RNA)
where:
Base-Base interactions energy: -302.493
where: short stacking energy: -126.915
Base-Backbone interact. energy: -0.000
local terms energy: -116.685601
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -36.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -405.764649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.764649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.764649 (E_RNA)
where:
Base-Base interactions energy: -287.872
where: short stacking energy: -119.319
Base-Backbone interact. energy: -0.001
local terms energy: -117.891766
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -36.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -401.360495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.360495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.360495 (E_RNA)
where:
Base-Base interactions energy: -285.001
where: short stacking energy: -116.704
Base-Backbone interact. energy: -0.004
local terms energy: -116.355954
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -34.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -260.883491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.883491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.883491 (E_RNA)
where:
Base-Base interactions energy: -165.915
where: short stacking energy: -67.601
Base-Backbone interact. energy: 1.107
local terms energy: -96.075305
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -13.725
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: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -191.558092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.558092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.558092 (E_RNA)
where:
Base-Base interactions energy: -119.685
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.887
local terms energy: -70.986216
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -162.531616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.531616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.531616 (E_RNA)
where:
Base-Base interactions energy: -80.137
where: short stacking energy: -48.983
Base-Backbone interact. energy: -1.344
local terms energy: -81.050077
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -113.088959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.088959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.088959 (E_RNA)
where:
Base-Base interactions energy: -45.665
where: short stacking energy: -42.925
Base-Backbone interact. energy: -0.085
local terms energy: -67.338861
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.347
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -115.687468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.687468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.687468 (E_RNA)
where:
Base-Base interactions energy: -47.136
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.137
local terms energy: -68.414778
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -8.044
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: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -418.647954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.647954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.647954 (E_RNA)
where:
Base-Base interactions energy: -297.760
where: short stacking energy: -119.226
Base-Backbone interact. energy: -0.001
local terms energy: -120.886825
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: -35.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -410.456319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.456319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.456319 (E_RNA)
where:
Base-Base interactions energy: -297.341
where: short stacking energy: -122.436
Base-Backbone interact. energy: -0.003
local terms energy: -113.111788
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -36.464
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: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -405.852288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.852288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.852288 (E_RNA)
where:
Base-Base interactions energy: -290.897
where: short stacking energy: -119.664
Base-Backbone interact. energy: 0.495
local terms energy: -115.450055
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: -36.303
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: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -400.955777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.955777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.955777 (E_RNA)
where:
Base-Base interactions energy: -287.107
where: short stacking energy: -113.711
Base-Backbone interact. energy: -0.161
local terms energy: -113.687854
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -33.124
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: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -397.163675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.163675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.163675 (E_RNA)
where:
Base-Base interactions energy: -284.033
where: short stacking energy: -115.304
Base-Backbone interact. energy: -0.001
local terms energy: -113.130335
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -15.725
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: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -249.931128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.931128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.931128 (E_RNA)
where:
Base-Base interactions energy: -163.174
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.873
local terms energy: -85.883400
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -15.189
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: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -203.431591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.431591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431591 (E_RNA)
where:
Base-Base interactions energy: -115.322
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.941
local terms energy: -87.169359
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -12.724
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: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -154.029127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.029127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.029127 (E_RNA)
where:
Base-Base interactions energy: -82.201
where: short stacking energy: -51.922
Base-Backbone interact. energy: 2.801
local terms energy: -74.629822
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -118.045896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.045896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.045896 (E_RNA)
where:
Base-Base interactions energy: -53.728
where: short stacking energy: -40.591
Base-Backbone interact. energy: 0.258
local terms energy: -64.575797
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -1.399
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: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -115.277284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.277284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.277284 (E_RNA)
where:
Base-Base interactions energy: -47.631
where: short stacking energy: -39.801
Base-Backbone interact. energy: 0.895
local terms energy: -68.541447
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -418.865774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.865774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.865774 (E_RNA)
where:
Base-Base interactions energy: -296.075
where: short stacking energy: -122.917
Base-Backbone interact. energy: -0.591
local terms energy: -122.200161
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -37.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -412.921969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.921969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.921969 (E_RNA)
where:
Base-Base interactions energy: -297.209
where: short stacking energy: -120.183
Base-Backbone interact. energy: -0.004
local terms energy: -115.708985
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -33.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -408.279934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.279934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.279934 (E_RNA)
where:
Base-Base interactions energy: -285.370
where: short stacking energy: -119.119
Base-Backbone interact. energy: -0.162
local terms energy: -122.748748
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -23.806
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -35.693
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: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -400.003592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.003592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.003592 (E_RNA)
where:
Base-Base interactions energy: -281.770
where: short stacking energy: -114.438
Base-Backbone interact. energy: -0.615
local terms energy: -117.619170
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -31.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -402.720848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.720848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.720848 (E_RNA)
where:
Base-Base interactions energy: -284.208
where: short stacking energy: -117.930
Base-Backbone interact. energy: -0.000
local terms energy: -118.512923
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -36.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -251.515416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.515416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.515416 (E_RNA)
where:
Base-Base interactions energy: -170.370
where: short stacking energy: -76.021
Base-Backbone interact. energy: -0.636
local terms energy: -80.509929
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -2.628
tors. eta vs tors. theta energy: -17.921
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: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -207.069822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.069822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.069822 (E_RNA)
where:
Base-Base interactions energy: -115.881
where: short stacking energy: -59.301
Base-Backbone interact. energy: 0.967
local terms energy: -92.155968
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -13.709
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: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -135.417945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.417945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.417945 (E_RNA)
where:
Base-Base interactions energy: -54.618
where: short stacking energy: -43.664
Base-Backbone interact. energy: 1.304
local terms energy: -82.103801
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -118.249263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.249263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.249263 (E_RNA)
where:
Base-Base interactions energy: -55.089
where: short stacking energy: -38.372
Base-Backbone interact. energy: 0.652
local terms energy: -63.812534
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -120.988416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.988416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.988416 (E_RNA)
where:
Base-Base interactions energy: -41.279
where: short stacking energy: -38.988
Base-Backbone interact. energy: -0.417
local terms energy: -79.292852
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -4.346
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: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -424.115268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.115268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.115268 (E_RNA)
where:
Base-Base interactions energy: -299.514
where: short stacking energy: -127.448
Base-Backbone interact. energy: -0.002
local terms energy: -124.599650
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -36.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -410.696886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.696886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.696886 (E_RNA)
where:
Base-Base interactions energy: -294.594
where: short stacking energy: -119.492
Base-Backbone interact. energy: -0.131
local terms energy: -115.971108
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -34.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -418.902299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.902299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.902299 (E_RNA)
where:
Base-Base interactions energy: -301.267
where: short stacking energy: -122.478
Base-Backbone interact. energy: -0.000
local terms energy: -117.635362
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -35.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -403.415410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.415410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.415410 (E_RNA)
where:
Base-Base interactions energy: -290.342
where: short stacking energy: -115.787
Base-Backbone interact. energy: -0.782
local terms energy: -112.291504
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -35.680
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: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -397.913288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.913288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.913288 (E_RNA)
where:
Base-Base interactions energy: -279.314
where: short stacking energy: -114.064
Base-Backbone interact. energy: -0.009
local terms energy: -118.591164
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -33.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -231.185093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.185093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.185093 (E_RNA)
where:
Base-Base interactions energy: -129.114
where: short stacking energy: -67.594
Base-Backbone interact. energy: -0.002
local terms energy: -102.069467
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -195.177903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.177903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.177903 (E_RNA)
where:
Base-Base interactions energy: -120.088
where: short stacking energy: -72.368
Base-Backbone interact. energy: -0.023
local terms energy: -75.066765
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -132.384107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.384107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.384107 (E_RNA)
where:
Base-Base interactions energy: -52.022
where: short stacking energy: -46.483
Base-Backbone interact. energy: -0.333
local terms energy: -80.029159
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -117.190490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.190490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.190490 (E_RNA)
where:
Base-Base interactions energy: -38.083
where: short stacking energy: -36.333
Base-Backbone interact. energy: -0.148
local terms energy: -78.959998
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -111.718208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.718208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.718208 (E_RNA)
where:
Base-Base interactions energy: -42.670
where: short stacking energy: -34.702
Base-Backbone interact. energy: 0.629
local terms energy: -69.676756
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -419.322327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.322327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.322327 (E_RNA)
where:
Base-Base interactions energy: -299.125
where: short stacking energy: -125.016
Base-Backbone interact. energy: -0.653
local terms energy: -119.544719
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -36.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -413.086309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.086309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.086309 (E_RNA)
where:
Base-Base interactions energy: -290.869
where: short stacking energy: -115.843
Base-Backbone interact. energy: -0.646
local terms energy: -121.571572
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -34.892
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: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -409.690447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.690447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.690447 (E_RNA)
where:
Base-Base interactions energy: -290.964
where: short stacking energy: -118.770
Base-Backbone interact. energy: -0.866
local terms energy: -117.860060
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -36.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -406.991824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.991824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.991824 (E_RNA)
where:
Base-Base interactions energy: -290.814
where: short stacking energy: -115.397
Base-Backbone interact. energy: -0.004
local terms energy: -116.173942
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -31.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -399.901291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.901291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.901291 (E_RNA)
where:
Base-Base interactions energy: -279.076
where: short stacking energy: -110.646
Base-Backbone interact. energy: -0.586
local terms energy: -120.238900
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -34.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -231.017833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.017833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.017833 (E_RNA)
where:
Base-Base interactions energy: -136.918
where: short stacking energy: -69.269
Base-Backbone interact. energy: 0.033
local terms energy: -94.132189
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -193.737371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.737371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.737371 (E_RNA)
where:
Base-Base interactions energy: -118.976
where: short stacking energy: -64.362
Base-Backbone interact. energy: -0.605
local terms energy: -74.156199
where:
bonds (distance) C4'-P energy: -7.576
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -13.245
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: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -130.472905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.472905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.472905 (E_RNA)
where:
Base-Base interactions energy: -51.310
where: short stacking energy: -51.310
Base-Backbone interact. energy: 0.183
local terms energy: -79.345473
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -10.994
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: 84
Temperature: 1.300000
Total energy: -122.390878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.390878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.390878 (E_RNA)
where:
Base-Base interactions energy: -44.887
where: short stacking energy: -41.659
Base-Backbone interact. energy: 1.312
local terms energy: -78.815667
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -10.018
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: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -113.280422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.280422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.280422 (E_RNA)
where:
Base-Base interactions energy: -48.687
where: short stacking energy: -47.417
Base-Backbone interact. energy: -0.392
local terms energy: -64.201296
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -423.244989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.244989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.244989 (E_RNA)
where:
Base-Base interactions energy: -296.962
where: short stacking energy: -122.795
Base-Backbone interact. energy: -0.051
local terms energy: -126.231921
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -37.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -415.154583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.154583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.154583 (E_RNA)
where:
Base-Base interactions energy: -293.909
where: short stacking energy: -126.394
Base-Backbone interact. energy: -0.491
local terms energy: -120.754308
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -36.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -404.841660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.841660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.841660 (E_RNA)
where:
Base-Base interactions energy: -288.461
where: short stacking energy: -118.358
Base-Backbone interact. energy: -0.657
local terms energy: -115.722945
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -35.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -409.115307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.115307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.115307 (E_RNA)
where:
Base-Base interactions energy: -290.905
where: short stacking energy: -117.659
Base-Backbone interact. energy: -0.001
local terms energy: -118.209896
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -34.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -407.858493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.858493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.858493 (E_RNA)
where:
Base-Base interactions energy: -295.127
where: short stacking energy: -120.719
Base-Backbone interact. energy: -0.591
local terms energy: -112.140579
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -35.459
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: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -218.100365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.100365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.100365 (E_RNA)
where:
Base-Base interactions energy: -135.482
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.047
local terms energy: -82.571939
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -10.801
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: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -210.805436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.805436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.805436 (E_RNA)
where:
Base-Base interactions energy: -128.003
where: short stacking energy: -64.739
Base-Backbone interact. energy: -0.655
local terms energy: -82.147504
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -15.403
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: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -118.640397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.640397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.640397 (E_RNA)
where:
Base-Base interactions energy: -46.162
where: short stacking energy: -38.920
Base-Backbone interact. energy: -0.138
local terms energy: -72.340007
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -15.173
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: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -137.440393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.440393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.440393 (E_RNA)
where:
Base-Base interactions energy: -51.447
where: short stacking energy: -46.484
Base-Backbone interact. energy: -0.014
local terms energy: -85.979462
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -13.187
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: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -114.165979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.165979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.165979 (E_RNA)
where:
Base-Base interactions energy: -42.639
where: short stacking energy: -42.639
Base-Backbone interact. energy: -0.089
local terms energy: -71.437832
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -426.371832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.371832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.371832 (E_RNA)
where:
Base-Base interactions energy: -299.360
where: short stacking energy: -122.357
Base-Backbone interact. energy: -0.280
local terms energy: -126.732089
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -26.080
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -37.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -412.266465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.266465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.266465 (E_RNA)
where:
Base-Base interactions energy: -295.285
where: short stacking energy: -125.388
Base-Backbone interact. energy: -0.002
local terms energy: -116.979203
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -34.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -411.554094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.554094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.554094 (E_RNA)
where:
Base-Base interactions energy: -289.072
where: short stacking energy: -118.559
Base-Backbone interact. energy: -0.588
local terms energy: -121.894453
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -33.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -397.418704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.418704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.418704 (E_RNA)
where:
Base-Base interactions energy: -284.633
where: short stacking energy: -113.592
Base-Backbone interact. energy: -0.000
local terms energy: -112.785578
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: -33.482
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: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -399.549137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.549137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.549137 (E_RNA)
where:
Base-Base interactions energy: -286.216
where: short stacking energy: -117.339
Base-Backbone interact. energy: -0.004
local terms energy: -113.329090
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -18.421
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: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -237.171924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.171924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.171924 (E_RNA)
where:
Base-Base interactions energy: -156.842
where: short stacking energy: -70.496
Base-Backbone interact. energy: -0.207
local terms energy: -80.122700
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -11.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -195.251454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.251454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.251454 (E_RNA)
where:
Base-Base interactions energy: -109.784
where: short stacking energy: -53.380
Base-Backbone interact. energy: -0.185
local terms energy: -85.282967
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -138.593198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.593198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.593198 (E_RNA)
where:
Base-Base interactions energy: -63.202
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.398
local terms energy: -74.992902
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -16.085
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: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -114.417827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.417827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.417827 (E_RNA)
where:
Base-Base interactions energy: -40.803
where: short stacking energy: -31.300
Base-Backbone interact. energy: -0.805
local terms energy: -72.810204
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: 2.655
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: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -115.136341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.136341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.136341 (E_RNA)
where:
Base-Base interactions energy: -52.175
where: short stacking energy: -42.621
Base-Backbone interact. energy: 0.249
local terms energy: -63.210669
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: 3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -425.907715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.907715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.907715 (E_RNA)
where:
Base-Base interactions energy: -302.734
where: short stacking energy: -129.282
Base-Backbone interact. energy: -0.006
local terms energy: -123.167419
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -37.848
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: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -416.534376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.534376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.534376 (E_RNA)
where:
Base-Base interactions energy: -295.062
where: short stacking energy: -123.536
Base-Backbone interact. energy: -0.001
local terms energy: -121.471071
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -18.654
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: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -413.147322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.147322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.147322 (E_RNA)
where:
Base-Base interactions energy: -293.847
where: short stacking energy: -118.551
Base-Backbone interact. energy: -0.451
local terms energy: -118.848815
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -25.386
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -33.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -391.120351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.120351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.120351 (E_RNA)
where:
Base-Base interactions energy: -281.457
where: short stacking energy: -107.887
Base-Backbone interact. energy: -0.213
local terms energy: -109.450565
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -26.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -393.219918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.219918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.219918 (E_RNA)
where:
Base-Base interactions energy: -276.485
where: short stacking energy: -109.124
Base-Backbone interact. energy: -0.011
local terms energy: -116.723593
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -33.244
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: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -248.038211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.038211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.038211 (E_RNA)
where:
Base-Base interactions energy: -155.778
where: short stacking energy: -67.587
Base-Backbone interact. energy: -0.067
local terms energy: -92.193490
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -201.612382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.612382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.612382 (E_RNA)
where:
Base-Base interactions energy: -121.493
where: short stacking energy: -74.478
Base-Backbone interact. energy: -0.257
local terms energy: -79.862301
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -126.191081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.191081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.191081 (E_RNA)
where:
Base-Base interactions energy: -64.249
where: short stacking energy: -35.395
Base-Backbone interact. energy: -0.363
local terms energy: -61.579859
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: 0.872
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: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -102.685034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.685034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.685034 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -34.843
Base-Backbone interact. energy: -1.516
local terms energy: -62.776885
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -102.713345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.713345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.713345 (E_RNA)
where:
Base-Base interactions energy: -39.964
where: short stacking energy: -24.357
Base-Backbone interact. energy: -0.289
local terms energy: -62.460540
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -423.584849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.584849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.584849 (E_RNA)
where:
Base-Base interactions energy: -296.059
where: short stacking energy: -126.110
Base-Backbone interact. energy: -1.162
local terms energy: -126.363767
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -37.309
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: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -422.298047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.298047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.298047 (E_RNA)
where:
Base-Base interactions energy: -293.863
where: short stacking energy: -122.043
Base-Backbone interact. energy: -0.215
local terms energy: -128.219601
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -25.227
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -34.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -409.142137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.142137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.142137 (E_RNA)
where:
Base-Base interactions energy: -290.661
where: short stacking energy: -119.647
Base-Backbone interact. energy: -0.003
local terms energy: -118.477508
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -34.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -404.912792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.912792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.912792 (E_RNA)
where:
Base-Base interactions energy: -287.157
where: short stacking energy: -114.716
Base-Backbone interact. energy: -0.003
local terms energy: -117.752916
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -36.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -407.005981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.005981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.005981 (E_RNA)
where:
Base-Base interactions energy: -293.433
where: short stacking energy: -120.194
Base-Backbone interact. energy: -0.003
local terms energy: -113.569539
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -34.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -228.607055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.607055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.607055 (E_RNA)
where:
Base-Base interactions energy: -141.975
where: short stacking energy: -66.814
Base-Backbone interact. energy: -0.797
local terms energy: -85.835036
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -15.909
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: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -202.386282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.386282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.386282 (E_RNA)
where:
Base-Base interactions energy: -115.238
where: short stacking energy: -63.148
Base-Backbone interact. energy: 0.018
local terms energy: -87.166940
where:
bonds (distance) C4'-P energy: -22.712
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -167.161704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.161704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.161704 (E_RNA)
where:
Base-Base interactions energy: -83.069
where: short stacking energy: -49.550
Base-Backbone interact. energy: -0.082
local terms energy: -84.010219
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -153.756819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.756819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.756819 (E_RNA)
where:
Base-Base interactions energy: -77.799
where: short stacking energy: -39.450
Base-Backbone interact. energy: -0.415
local terms energy: -75.542831
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -4.237
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: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -102.177809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.177809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.177809 (E_RNA)
where:
Base-Base interactions energy: -46.163
where: short stacking energy: -36.214
Base-Backbone interact. energy: -0.096
local terms energy: -55.918772
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -7.932
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -424.787270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.787270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.787270 (E_RNA)
where:
Base-Base interactions energy: -299.607
where: short stacking energy: -123.958
Base-Backbone interact. energy: -0.014
local terms energy: -125.166872
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -36.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -410.485816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.485816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.485816 (E_RNA)
where:
Base-Base interactions energy: -293.648
where: short stacking energy: -119.846
Base-Backbone interact. energy: -0.002
local terms energy: -116.835027
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -35.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -414.229742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.229742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.229742 (E_RNA)
where:
Base-Base interactions energy: -291.308
where: short stacking energy: -117.529
Base-Backbone interact. energy: -0.053
local terms energy: -122.868480
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -36.076
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: 4, replica: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -406.826150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.826150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.826150 (E_RNA)
where:
Base-Base interactions energy: -285.992
where: short stacking energy: -112.155
Base-Backbone interact. energy: -0.660
local terms energy: -120.174191
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -15.530
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: 5, replica: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -399.821476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.821476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.821476 (E_RNA)
where:
Base-Base interactions energy: -276.490
where: short stacking energy: -114.889
Base-Backbone interact. energy: -0.020
local terms energy: -123.311168
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -26.162
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -34.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -244.634264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.634264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.634264 (E_RNA)
where:
Base-Base interactions energy: -150.200
where: short stacking energy: -70.495
Base-Backbone interact. energy: -0.424
local terms energy: -94.009646
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -16.798
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: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -185.859557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.859557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.859557 (E_RNA)
where:
Base-Base interactions energy: -96.466
where: short stacking energy: -45.175
Base-Backbone interact. energy: -0.529
local terms energy: -88.864459
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -9.713
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: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -153.556437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.556437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.556437 (E_RNA)
where:
Base-Base interactions energy: -89.181
where: short stacking energy: -51.923
Base-Backbone interact. energy: 2.612
local terms energy: -66.988401
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -6.308
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: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -153.957187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.957187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.957187 (E_RNA)
where:
Base-Base interactions energy: -89.608
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.070
local terms energy: -64.278601
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -102.274887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.274887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.274887 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -32.978
Base-Backbone interact. energy: 0.701
local terms energy: -63.513412
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: 4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -423.369651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.369651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.369651 (E_RNA)
where:
Base-Base interactions energy: -292.464
where: short stacking energy: -118.107
Base-Backbone interact. energy: -0.001
local terms energy: -130.904132
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -26.228
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -37.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -417.400275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.400275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.400275 (E_RNA)
where:
Base-Base interactions energy: -294.752
where: short stacking energy: -119.679
Base-Backbone interact. energy: -0.600
local terms energy: -122.048904
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -35.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -408.790599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.790599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.790599 (E_RNA)
where:
Base-Base interactions energy: -290.920
where: short stacking energy: -118.544
Base-Backbone interact. energy: -0.211
local terms energy: -117.659122
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -37.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -412.888775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.888775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.888775 (E_RNA)
where:
Base-Base interactions energy: -292.795
where: short stacking energy: -121.796
Base-Backbone interact. energy: -0.000
local terms energy: -120.093496
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -36.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -400.837353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.837353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.837353 (E_RNA)
where:
Base-Base interactions energy: -286.727
where: short stacking energy: -113.182
Base-Backbone interact. energy: -0.478
local terms energy: -113.631804
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -33.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -244.850214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.850214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.850214 (E_RNA)
where:
Base-Base interactions energy: -148.235
where: short stacking energy: -75.758
Base-Backbone interact. energy: -0.178
local terms energy: -96.438123
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -20.617
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: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -174.390753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.390753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.390753 (E_RNA)
where:
Base-Base interactions energy: -97.953
where: short stacking energy: -46.815
Base-Backbone interact. energy: -0.193
local terms energy: -76.244688
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -6.678
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: 90
Temperature: 1.250000
Total energy: -193.667453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.667453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.667453 (E_RNA)
where:
Base-Base interactions energy: -111.499
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.031
local terms energy: -82.137810
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -9.926
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: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -126.464870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.464870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.464870 (E_RNA)
where:
Base-Base interactions energy: -52.976
where: short stacking energy: -36.636
Base-Backbone interact. energy: 1.221
local terms energy: -74.710143
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: 1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -117.298538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.298538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.298538 (E_RNA)
where:
Base-Base interactions energy: -48.056
where: short stacking energy: -47.075
Base-Backbone interact. energy: -0.284
local terms energy: -68.958212
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -1.346
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: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -419.281800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.281800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.281800 (E_RNA)
where:
Base-Base interactions energy: -296.510
where: short stacking energy: -121.443
Base-Backbone interact. energy: -0.150
local terms energy: -122.621977
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -36.421
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: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -405.724696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.724696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.724696 (E_RNA)
where:
Base-Base interactions energy: -289.403
where: short stacking energy: -114.523
Base-Backbone interact. energy: -0.245
local terms energy: -116.076881
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -32.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -415.647984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.647984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.647984 (E_RNA)
where:
Base-Base interactions energy: -292.914
where: short stacking energy: -123.174
Base-Backbone interact. energy: -0.025
local terms energy: -122.708810
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -32.944
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: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -410.251281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.251281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.251281 (E_RNA)
where:
Base-Base interactions energy: -287.088
where: short stacking energy: -118.145
Base-Backbone interact. energy: -0.757
local terms energy: -122.406562
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -35.681
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: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -397.798157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.798157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.798157 (E_RNA)
where:
Base-Base interactions energy: -291.609
where: short stacking energy: -119.878
Base-Backbone interact. energy: -0.632
local terms energy: -105.557107
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -16.615
tors. eta vs tors. theta energy: -32.228
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: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -249.971254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.971254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.971254 (E_RNA)
where:
Base-Base interactions energy: -157.854
where: short stacking energy: -69.349
Base-Backbone interact. energy: -0.109
local terms energy: -92.007926
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -17.689
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: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -225.873242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.873242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.873242 (E_RNA)
where:
Base-Base interactions energy: -141.418
where: short stacking energy: -65.866
Base-Backbone interact. energy: 0.929
local terms energy: -85.384124
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -17.914
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: 91
Temperature: 1.250000
Total energy: -184.977344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.977344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.977344 (E_RNA)
where:
Base-Base interactions energy: -101.641
where: short stacking energy: -51.936
Base-Backbone interact. energy: -0.099
local terms energy: -83.236949
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -116.097263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.097263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.097263 (E_RNA)
where:
Base-Base interactions energy: -35.898
where: short stacking energy: -35.627
Base-Backbone interact. energy: -0.656
local terms energy: -79.542609
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -4.989
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: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -97.437758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.437758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.437758 (E_RNA)
where:
Base-Base interactions energy: -29.516
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.424
local terms energy: -67.497840
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: 6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -411.907397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.907397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.907397 (E_RNA)
where:
Base-Base interactions energy: -298.949
where: short stacking energy: -123.160
Base-Backbone interact. energy: -0.584
local terms energy: -112.373991
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -34.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -419.530585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.530585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.530585 (E_RNA)
where:
Base-Base interactions energy: -295.093
where: short stacking energy: -126.082
Base-Backbone interact. energy: -0.432
local terms energy: -124.005362
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -34.180
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: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -416.677753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.677753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.677753 (E_RNA)
where:
Base-Base interactions energy: -293.343
where: short stacking energy: -119.796
Base-Backbone interact. energy: -0.005
local terms energy: -123.329692
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -12.469
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: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -406.463213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.463213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.463213 (E_RNA)
where:
Base-Base interactions energy: -285.461
where: short stacking energy: -120.259
Base-Backbone interact. energy: -0.748
local terms energy: -120.254569
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -35.761
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: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -392.205603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.205603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.205603 (E_RNA)
where:
Base-Base interactions energy: -269.570
where: short stacking energy: -107.802
Base-Backbone interact. energy: -0.001
local terms energy: -122.634934
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -33.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -232.048243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.048243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.048243 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -58.149
Base-Backbone interact. energy: -0.415
local terms energy: -92.505700
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -216.637238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.637238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.637238 (E_RNA)
where:
Base-Base interactions energy: -133.170
where: short stacking energy: -59.677
Base-Backbone interact. energy: -0.165
local terms energy: -83.301776
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -13.892
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: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -294.965744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.965744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.965744 (E_RNA)
where:
Base-Base interactions energy: -199.267
where: short stacking energy: -82.151
Base-Backbone interact. energy: -0.115
local terms energy: -95.583518
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -23.065
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: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -105.393061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.393061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.393061 (E_RNA)
where:
Base-Base interactions energy: -42.582
where: short stacking energy: -41.724
Base-Backbone interact. energy: -0.343
local terms energy: -62.468035
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: 0.815
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: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -114.912793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.912793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.912793 (E_RNA)
where:
Base-Base interactions energy: -53.840
where: short stacking energy: -41.651
Base-Backbone interact. energy: 0.894
local terms energy: -61.966256
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -419.513762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.513762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.513762 (E_RNA)
where:
Base-Base interactions energy: -290.469
where: short stacking energy: -119.006
Base-Backbone interact. energy: -0.796
local terms energy: -128.248122
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -35.227
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: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -418.038617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.038617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.038617 (E_RNA)
where:
Base-Base interactions energy: -292.347
where: short stacking energy: -121.369
Base-Backbone interact. energy: -0.008
local terms energy: -125.683197
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -27.203
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -36.253
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: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -407.087225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.087225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.087225 (E_RNA)
where:
Base-Base interactions energy: -285.669
where: short stacking energy: -123.313
Base-Backbone interact. energy: -0.002
local terms energy: -121.416015
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -38.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -405.452562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.452562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.452562 (E_RNA)
where:
Base-Base interactions energy: -289.269
where: short stacking energy: -113.331
Base-Backbone interact. energy: -0.212
local terms energy: -115.970649
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -23.975
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -400.261727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.261727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.261727 (E_RNA)
where:
Base-Base interactions energy: -282.777
where: short stacking energy: -118.166
Base-Backbone interact. energy: -0.523
local terms energy: -116.961179
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -34.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -285.281845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.281845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.281845 (E_RNA)
where:
Base-Base interactions energy: -199.020
where: short stacking energy: -82.663
Base-Backbone interact. energy: -0.092
local terms energy: -86.170497
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -192.614085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.614085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.614085 (E_RNA)
where:
Base-Base interactions energy: -114.342
where: short stacking energy: -63.539
Base-Backbone interact. energy: -0.146
local terms energy: -78.125930
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -11.373
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: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -327.490106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.490106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.490106 (E_RNA)
where:
Base-Base interactions energy: -227.628
where: short stacking energy: -92.510
Base-Backbone interact. energy: -0.185
local terms energy: -99.677406
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -111.910320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.910320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.910320 (E_RNA)
where:
Base-Base interactions energy: -46.930
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.713
local terms energy: -64.268100
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 4.607
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: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -103.360883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.360883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.360883 (E_RNA)
where:
Base-Base interactions energy: -29.672
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.081
local terms energy: -73.608003
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: 2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -418.783677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.783677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.783677 (E_RNA)
where:
Base-Base interactions energy: -292.693
where: short stacking energy: -115.145
Base-Backbone interact. energy: -0.003
local terms energy: -126.088456
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -32.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -414.953896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.953896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.953896 (E_RNA)
where:
Base-Base interactions energy: -288.808
where: short stacking energy: -113.180
Base-Backbone interact. energy: -0.049
local terms energy: -126.096770
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -35.696
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: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -404.560598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.560598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.560598 (E_RNA)
where:
Base-Base interactions energy: -281.028
where: short stacking energy: -115.638
Base-Backbone interact. energy: -0.008
local terms energy: -123.524657
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -36.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -411.939230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.939230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.939230 (E_RNA)
where:
Base-Base interactions energy: -289.701
where: short stacking energy: -121.776
Base-Backbone interact. energy: -0.004
local terms energy: -122.234241
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -37.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -393.922102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.922102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.922102 (E_RNA)
where:
Base-Base interactions energy: -283.749
where: short stacking energy: -120.442
Base-Backbone interact. energy: -0.005
local terms energy: -110.167936
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -34.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -305.183202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.183202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.183202 (E_RNA)
where:
Base-Base interactions energy: -207.834
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.530
local terms energy: -96.818653
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -21.865
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: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -370.426176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.426176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.426176 (E_RNA)
where:
Base-Base interactions energy: -261.379
where: short stacking energy: -104.315
Base-Backbone interact. energy: -0.050
local terms energy: -108.996487
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -29.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -188.198726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.198726 (E_RNA)
where:
Base-Base interactions energy: -105.577
where: short stacking energy: -50.245
Base-Backbone interact. energy: -0.292
local terms energy: -82.329452
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -109.156053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.156053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.156053 (E_RNA)
where:
Base-Base interactions energy: -36.146
where: short stacking energy: -35.962
Base-Backbone interact. energy: 0.033
local terms energy: -73.043519
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -1.222
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: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -112.966546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.966546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.966546 (E_RNA)
where:
Base-Base interactions energy: -39.198
where: short stacking energy: -32.176
Base-Backbone interact. energy: 0.571
local terms energy: -74.340024
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -409.616563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.616563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.616563 (E_RNA)
where:
Base-Base interactions energy: -285.600
where: short stacking energy: -123.479
Base-Backbone interact. energy: -0.576
local terms energy: -123.440542
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -34.970
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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -418.577548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.577548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.577548 (E_RNA)
where:
Base-Base interactions energy: -294.367
where: short stacking energy: -119.532
Base-Backbone interact. energy: -0.009
local terms energy: -124.201874
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -35.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -413.957467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.957467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.957467 (E_RNA)
where:
Base-Base interactions energy: -296.844
where: short stacking energy: -120.601
Base-Backbone interact. energy: -0.307
local terms energy: -116.806042
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -36.552
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: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -410.668899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.668899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.668899 (E_RNA)
where:
Base-Base interactions energy: -291.977
where: short stacking energy: -119.298
Base-Backbone interact. energy: -0.157
local terms energy: -118.534717
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -36.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -397.000235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.000235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.000235 (E_RNA)
where:
Base-Base interactions energy: -293.209
where: short stacking energy: -118.051
Base-Backbone interact. energy: 2.180
local terms energy: -105.971119
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -33.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -401.852421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.852421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.852421 (E_RNA)
where:
Base-Base interactions energy: -284.140
where: short stacking energy: -119.274
Base-Backbone interact. energy: -0.599
local terms energy: -117.113002
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -14.963
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: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -289.849544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.849544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.849544 (E_RNA)
where:
Base-Base interactions energy: -201.950
where: short stacking energy: -90.718
Base-Backbone interact. energy: -0.155
local terms energy: -87.744784
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -250.968933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.968933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.968933 (E_RNA)
where:
Base-Base interactions energy: -147.729
where: short stacking energy: -74.032
Base-Backbone interact. energy: -0.021
local terms energy: -103.218674
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -23.065
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: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -111.547967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.547967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.547967 (E_RNA)
where:
Base-Base interactions energy: -55.816
where: short stacking energy: -37.463
Base-Backbone interact. energy: 3.464
local terms energy: -59.195159
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: 4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -131.971676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.971676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.971676 (E_RNA)
where:
Base-Base interactions energy: -69.268
where: short stacking energy: -38.341
Base-Backbone interact. energy: -0.238
local terms energy: -62.466526
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -4.581
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: 96
Temperature: 0.900000
Total energy: -420.576900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.576900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.576900 (E_RNA)
where:
Base-Base interactions energy: -297.306
where: short stacking energy: -124.968
Base-Backbone interact. energy: 0.624
local terms energy: -123.894541
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -34.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -407.384483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.384483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.384483 (E_RNA)
where:
Base-Base interactions energy: -287.812
where: short stacking energy: -121.342
Base-Backbone interact. energy: -0.007
local terms energy: -119.565497
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -31.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -410.274359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.274359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.274359 (E_RNA)
where:
Base-Base interactions energy: -290.691
where: short stacking energy: -120.020
Base-Backbone interact. energy: -0.620
local terms energy: -118.962957
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: -37.052
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: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -407.271558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.271558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.271558 (E_RNA)
where:
Base-Base interactions energy: -296.622
where: short stacking energy: -123.568
Base-Backbone interact. energy: -0.002
local terms energy: -110.647052
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -35.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -399.771898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.771898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.771898 (E_RNA)
where:
Base-Base interactions energy: -280.052
where: short stacking energy: -116.819
Base-Backbone interact. energy: -0.693
local terms energy: -119.027383
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -35.922
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: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -393.272780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.272780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.272780 (E_RNA)
where:
Base-Base interactions energy: -276.694
where: short stacking energy: -114.041
Base-Backbone interact. energy: -0.173
local terms energy: -116.406215
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -32.629
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: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -268.520052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.520052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.520052 (E_RNA)
where:
Base-Base interactions energy: -181.102
where: short stacking energy: -76.486
Base-Backbone interact. energy: -0.106
local terms energy: -87.312115
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -20.923
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: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -239.265808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.265808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.265808 (E_RNA)
where:
Base-Base interactions energy: -152.937
where: short stacking energy: -69.149
Base-Backbone interact. energy: 0.171
local terms energy: -86.499765
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -128.176723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.176723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.176723 (E_RNA)
where:
Base-Base interactions energy: -51.501
where: short stacking energy: -43.665
Base-Backbone interact. energy: -0.267
local terms energy: -76.408537
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -109.287878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.287878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.287878 (E_RNA)
where:
Base-Base interactions energy: -41.565
where: short stacking energy: -31.471
Base-Backbone interact. energy: -0.384
local terms energy: -67.338725
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -4.000
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -418.155195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.155195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.155195 (E_RNA)
where:
Base-Base interactions energy: -292.416
where: short stacking energy: -121.109
Base-Backbone interact. energy: -0.025
local terms energy: -125.714552
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -34.404
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: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -406.724926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.724926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.724926 (E_RNA)
where:
Base-Base interactions energy: -291.018
where: short stacking energy: -120.257
Base-Backbone interact. energy: -0.010
local terms energy: -115.697648
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -29.914
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: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -414.877459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.877459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.877459 (E_RNA)
where:
Base-Base interactions energy: -293.009
where: short stacking energy: -117.643
Base-Backbone interact. energy: -0.601
local terms energy: -121.267293
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -34.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -397.898311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.898311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.898311 (E_RNA)
where:
Base-Base interactions energy: -279.633
where: short stacking energy: -118.869
Base-Backbone interact. energy: -0.419
local terms energy: -117.846787
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -33.150
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: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -400.938511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.938511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.938511 (E_RNA)
where:
Base-Base interactions energy: -284.236
where: short stacking energy: -116.031
Base-Backbone interact. energy: -0.748
local terms energy: -115.954364
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -35.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -401.614469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.614469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.614469 (E_RNA)
where:
Base-Base interactions energy: -284.866
where: short stacking energy: -115.725
Base-Backbone interact. energy: -0.519
local terms energy: -116.229491
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -33.900
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: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -234.269457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.269457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.269457 (E_RNA)
where:
Base-Base interactions energy: -148.385
where: short stacking energy: -62.379
Base-Backbone interact. energy: 0.011
local terms energy: -85.895487
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -246.030802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.030802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.030802 (E_RNA)
where:
Base-Base interactions energy: -164.510
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.741
local terms energy: -80.779955
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -128.303087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.303087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.303087 (E_RNA)
where:
Base-Base interactions energy: -62.743
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.229
local terms energy: -65.330971
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -9.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -116.607044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.607044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.607044 (E_RNA)
where:
Base-Base interactions energy: -52.335
where: short stacking energy: -36.567
Base-Backbone interact. energy: 0.606
local terms energy: -64.878450
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -1.736
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: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -422.971618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.971618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.971618 (E_RNA)
where:
Base-Base interactions energy: -303.442
where: short stacking energy: -122.946
Base-Backbone interact. energy: -0.015
local terms energy: -119.514507
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -36.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -405.339266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.339266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.339266 (E_RNA)
where:
Base-Base interactions energy: -286.156
where: short stacking energy: -115.921
Base-Backbone interact. energy: -0.314
local terms energy: -118.869170
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -31.808
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: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -409.512217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.512217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.512217 (E_RNA)
where:
Base-Base interactions energy: -288.367
where: short stacking energy: -120.526
Base-Backbone interact. energy: -0.002
local terms energy: -121.143481
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -34.337
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: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -401.652288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.652288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.652288 (E_RNA)
where:
Base-Base interactions energy: -283.902
where: short stacking energy: -111.577
Base-Backbone interact. energy: 0.183
local terms energy: -117.932397
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -31.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -392.203208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.203208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.203208 (E_RNA)
where:
Base-Base interactions energy: -272.425
where: short stacking energy: -110.649
Base-Backbone interact. energy: -0.377
local terms energy: -119.401022
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -29.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -394.726262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.726262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.726262 (E_RNA)
where:
Base-Base interactions energy: -290.708
where: short stacking energy: -115.185
Base-Backbone interact. energy: -0.364
local terms energy: -103.654354
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -31.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -307.582523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.582523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.582523 (E_RNA)
where:
Base-Base interactions energy: -202.191
where: short stacking energy: -91.082
Base-Backbone interact. energy: -0.106
local terms energy: -105.285586
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -27.583
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: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -166.666929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.666929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.666929 (E_RNA)
where:
Base-Base interactions energy: -100.327
where: short stacking energy: -44.812
Base-Backbone interact. energy: -0.164
local terms energy: -66.175231
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -2.090
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: 2
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -108.647550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.647550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.647550 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -22.439
Base-Backbone interact. energy: -0.507
local terms energy: -65.374917
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -2.303
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -106.907907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.907907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.907907 (E_RNA)
where:
Base-Base interactions energy: -38.266
where: short stacking energy: -34.931
Base-Backbone interact. energy: -0.098
local terms energy: -68.543531
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -417.951279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.951279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.951279 (E_RNA)
where:
Base-Base interactions energy: -298.449
where: short stacking energy: -123.264
Base-Backbone interact. energy: -0.005
local terms energy: -119.497425
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -34.136
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: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -421.873469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.873469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.873469 (E_RNA)
where:
Base-Base interactions energy: -296.336
where: short stacking energy: -126.629
Base-Backbone interact. energy: 0.229
local terms energy: -125.767144
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -37.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -413.690960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.690960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.690960 (E_RNA)
where:
Base-Base interactions energy: -293.049
where: short stacking energy: -116.919
Base-Backbone interact. energy: -0.011
local terms energy: -120.630329
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -29.876
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: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -396.119127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.119127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.119127 (E_RNA)
where:
Base-Base interactions energy: -283.868
where: short stacking energy: -116.364
Base-Backbone interact. energy: -0.004
local terms energy: -112.246702
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -35.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -403.414887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.414887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.414887 (E_RNA)
where:
Base-Base interactions energy: -285.515
where: short stacking energy: -118.122
Base-Backbone interact. energy: -0.341
local terms energy: -117.558956
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -36.198
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: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -390.677344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.677344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.677344 (E_RNA)
where:
Base-Base interactions energy: -279.116
where: short stacking energy: -112.445
Base-Backbone interact. energy: -0.268
local terms energy: -111.293264
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -35.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -295.260218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.260218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.260218 (E_RNA)
where:
Base-Base interactions energy: -191.855
where: short stacking energy: -90.415
Base-Backbone interact. energy: 3.968
local terms energy: -107.373186
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -18.900
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: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -130.330526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.330526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.330526 (E_RNA)
where:
Base-Base interactions energy: -49.505
where: short stacking energy: -38.116
Base-Backbone interact. energy: -0.598
local terms energy: -80.228232
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -4.201
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: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -108.670370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.670370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.670370 (E_RNA)
where:
Base-Base interactions energy: -41.014
where: short stacking energy: -31.931
Base-Backbone interact. energy: 0.076
local terms energy: -67.732427
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: 1.276
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: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -97.435791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.435791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.435791 (E_RNA)
where:
Base-Base interactions energy: -35.979
where: short stacking energy: -30.715
Base-Backbone interact. energy: -1.821
local terms energy: -59.635443
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -416.212359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.212359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.212359 (E_RNA)
where:
Base-Base interactions energy: -295.173
where: short stacking energy: -117.299
Base-Backbone interact. energy: -0.002
local terms energy: -121.037422
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -32.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -417.882550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.882550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.882550 (E_RNA)
where:
Base-Base interactions energy: -295.941
where: short stacking energy: -125.134
Base-Backbone interact. energy: -0.001
local terms energy: -121.940228
where:
bonds (distance) C4'-P energy: -22.832
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -18.757
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: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -412.607293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.607293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.607293 (E_RNA)
where:
Base-Base interactions energy: -282.277
where: short stacking energy: -114.614
Base-Backbone interact. energy: -0.001
local terms energy: -130.328938
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -26.041
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -34.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -408.261414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.261414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.261414 (E_RNA)
where:
Base-Base interactions energy: -291.373
where: short stacking energy: -125.313
Base-Backbone interact. energy: 1.981
local terms energy: -118.869327
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -34.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -399.198631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.198631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.198631 (E_RNA)
where:
Base-Base interactions energy: -280.741
where: short stacking energy: -112.122
Base-Backbone interact. energy: -0.087
local terms energy: -118.371182
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -35.788
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: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -388.037749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.037749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.037749 (E_RNA)
where:
Base-Base interactions energy: -285.959
where: short stacking energy: -117.051
Base-Backbone interact. energy: -0.055
local terms energy: -102.024120
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -14.216
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: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -283.144507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.144507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.144507 (E_RNA)
where:
Base-Base interactions energy: -183.677
where: short stacking energy: -78.821
Base-Backbone interact. energy: -0.468
local terms energy: -98.999309
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -124.396587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.396587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.396587 (E_RNA)
where:
Base-Base interactions energy: -46.521
where: short stacking energy: -37.527
Base-Backbone interact. energy: -1.098
local terms energy: -76.777333
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -115.557375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.557375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.557375 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -41.638
Base-Backbone interact. energy: 0.147
local terms energy: -75.051128
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -108.937861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.937861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.937861 (E_RNA)
where:
Base-Base interactions energy: -40.251
where: short stacking energy: -38.158
Base-Backbone interact. energy: -0.228
local terms energy: -68.458627
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -15.559
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -417.024070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.024070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.024070 (E_RNA)
where:
Base-Base interactions energy: -296.909
where: short stacking energy: -118.296
Base-Backbone interact. energy: -0.762
local terms energy: -119.353284
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -38.540
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: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -412.479119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.479119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.479119 (E_RNA)
where:
Base-Base interactions energy: -295.681
where: short stacking energy: -122.491
Base-Backbone interact. energy: -0.004
local terms energy: -116.794539
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -36.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -412.068268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.068268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.068268 (E_RNA)
where:
Base-Base interactions energy: -292.575
where: short stacking energy: -115.733
Base-Backbone interact. energy: 0.184
local terms energy: -119.677435
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -36.477
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: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -403.738159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.738159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.738159 (E_RNA)
where:
Base-Base interactions energy: -289.333
where: short stacking energy: -114.905
Base-Backbone interact. energy: -0.002
local terms energy: -114.402698
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -31.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -396.672378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.672378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.672378 (E_RNA)
where:
Base-Base interactions energy: -281.996
where: short stacking energy: -115.705
Base-Backbone interact. energy: -0.011
local terms energy: -114.666190
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -31.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -394.395436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.395436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.395436 (E_RNA)
where:
Base-Base interactions energy: -280.570
where: short stacking energy: -112.837
Base-Backbone interact. energy: -0.885
local terms energy: -112.941348
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -290.217140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.217140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.217140 (E_RNA)
where:
Base-Base interactions energy: -201.445
where: short stacking energy: -81.977
Base-Backbone interact. energy: -0.273
local terms energy: -88.499417
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -21.601
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: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -129.732593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.732593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.732593 (E_RNA)
where:
Base-Base interactions energy: -58.425
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.943
local terms energy: -70.364336
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -6.501
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: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -115.550604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.550604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.550604 (E_RNA)
where:
Base-Base interactions energy: -59.439
where: short stacking energy: -40.803
Base-Backbone interact. energy: -0.448
local terms energy: -55.663084
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -7.822
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -1.455
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: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -97.877154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.877154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.877154 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -32.922
Base-Backbone interact. energy: -0.144
local terms energy: -63.692338
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: 4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -420.285806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.285806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.285806 (E_RNA)
where:
Base-Base interactions energy: -296.940
where: short stacking energy: -123.712
Base-Backbone interact. energy: -0.134
local terms energy: -123.211725
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: -36.952
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: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -417.604370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.604370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.604370 (E_RNA)
where:
Base-Base interactions energy: -297.145
where: short stacking energy: -120.002
Base-Backbone interact. energy: -0.575
local terms energy: -119.883934
where:
bonds (distance) C4'-P energy: -24.012
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -36.836
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: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -417.739328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.739328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.739328 (E_RNA)
where:
Base-Base interactions energy: -291.152
where: short stacking energy: -125.898
Base-Backbone interact. energy: -0.042
local terms energy: -126.545003
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -38.264
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: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -401.668800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.668800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.668800 (E_RNA)
where:
Base-Base interactions energy: -281.408
where: short stacking energy: -118.883
Base-Backbone interact. energy: -0.003
local terms energy: -120.257771
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -35.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -402.002945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.002945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.002945 (E_RNA)
where:
Base-Base interactions energy: -286.697
where: short stacking energy: -115.833
Base-Backbone interact. energy: 0.730
local terms energy: -116.036056
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -35.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -397.064943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.064943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.064943 (E_RNA)
where:
Base-Base interactions energy: -274.635
where: short stacking energy: -112.817
Base-Backbone interact. energy: -0.788
local terms energy: -121.641648
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -35.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -321.407346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.407346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.407346 (E_RNA)
where:
Base-Base interactions energy: -220.087
where: short stacking energy: -91.817
Base-Backbone interact. energy: -0.286
local terms energy: -101.034436
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -117.694870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.694870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.694870 (E_RNA)
where:
Base-Base interactions energy: -42.989
where: short stacking energy: -41.678
Base-Backbone interact. energy: 1.879
local terms energy: -76.585141
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -4.888
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: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -109.769131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.769131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.769131 (E_RNA)
where:
Base-Base interactions energy: -45.514
where: short stacking energy: -39.141
Base-Backbone interact. energy: 3.441
local terms energy: -67.695901
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -13.668
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: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -109.057605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.057605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.057605 (E_RNA)
where:
Base-Base interactions energy: -52.272
where: short stacking energy: -48.771
Base-Backbone interact. energy: -0.082
local terms energy: -56.703761
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: 0.622
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -426.714450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.714450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.714450 (E_RNA)
where:
Base-Base interactions energy: -303.420
where: short stacking energy: -128.732
Base-Backbone interact. energy: -0.395
local terms energy: -122.898663
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -37.418
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: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -420.629443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.629443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.629443 (E_RNA)
where:
Base-Base interactions energy: -296.865
where: short stacking energy: -125.515
Base-Backbone interact. energy: -0.066
local terms energy: -123.698740
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -19.016
tors. eta vs tors. theta energy: -35.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -403.400309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.400309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.400309 (E_RNA)
where:
Base-Base interactions energy: -280.095
where: short stacking energy: -115.138
Base-Backbone interact. energy: -0.018
local terms energy: -123.286537
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -34.470
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: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -404.448049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.448049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.448049 (E_RNA)
where:
Base-Base interactions energy: -284.294
where: short stacking energy: -113.867
Base-Backbone interact. energy: -0.383
local terms energy: -119.771313
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -34.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -395.774267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.774267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.774267 (E_RNA)
where:
Base-Base interactions energy: -284.844
where: short stacking energy: -117.611
Base-Backbone interact. energy: -0.001
local terms energy: -110.929115
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -33.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -389.758814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.758814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.758814 (E_RNA)
where:
Base-Base interactions energy: -279.542
where: short stacking energy: -113.641
Base-Backbone interact. energy: -0.879
local terms energy: -109.338318
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -32.837
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: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -350.885607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.885607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.885607 (E_RNA)
where:
Base-Base interactions energy: -252.407
where: short stacking energy: -100.942
Base-Backbone interact. energy: -0.945
local terms energy: -97.533834
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -30.963
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: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -112.090676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.090676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.090676 (E_RNA)
where:
Base-Base interactions energy: -44.849
where: short stacking energy: -42.090
Base-Backbone interact. energy: -1.258
local terms energy: -65.983463
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -128.640215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.640215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.640215 (E_RNA)
where:
Base-Base interactions energy: -43.377
where: short stacking energy: -35.615
Base-Backbone interact. energy: -0.112
local terms energy: -85.151388
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -5.835
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: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -108.256313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.256313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.256313 (E_RNA)
where:
Base-Base interactions energy: -39.597
where: short stacking energy: -39.016
Base-Backbone interact. energy: 1.906
local terms energy: -70.564589
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -4.473
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: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -423.204310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.204310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.204310 (E_RNA)
where:
Base-Base interactions energy: -299.257
where: short stacking energy: -128.924
Base-Backbone interact. energy: -0.002
local terms energy: -123.945765
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -38.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -418.452695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.452695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.452695 (E_RNA)
where:
Base-Base interactions energy: -300.937
where: short stacking energy: -123.414
Base-Backbone interact. energy: -0.017
local terms energy: -117.498540
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -35.173
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: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -404.753209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.753209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.753209 (E_RNA)
where:
Base-Base interactions energy: -287.553
where: short stacking energy: -111.025
Base-Backbone interact. energy: -0.072
local terms energy: -117.129015
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -18.948
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: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -405.850973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.850973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.850973 (E_RNA)
where:
Base-Base interactions energy: -288.797
where: short stacking energy: -124.305
Base-Backbone interact. energy: -0.175
local terms energy: -116.878729
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -35.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -396.829654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.829654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.829654 (E_RNA)
where:
Base-Base interactions energy: -284.101
where: short stacking energy: -114.104
Base-Backbone interact. energy: 0.089
local terms energy: -112.817568
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -31.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -401.834997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.834997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.834997 (E_RNA)
where:
Base-Base interactions energy: -281.879
where: short stacking energy: -113.599
Base-Backbone interact. energy: -0.560
local terms energy: -119.395946
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -31.976
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: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -343.264853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.264853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.264853 (E_RNA)
where:
Base-Base interactions energy: -238.736
where: short stacking energy: -91.269
Base-Backbone interact. energy: -1.952
local terms energy: -102.577495
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -116.261482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.261482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.261482 (E_RNA)
where:
Base-Base interactions energy: -52.501
where: short stacking energy: -33.572
Base-Backbone interact. energy: -1.678
local terms energy: -62.082660
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: 3.856
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: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -125.630366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.630366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.630366 (E_RNA)
where:
Base-Base interactions energy: -42.927
where: short stacking energy: -40.785
Base-Backbone interact. energy: 0.939
local terms energy: -83.642641
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -112.176635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.176635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.176635 (E_RNA)
where:
Base-Base interactions energy: -33.895
where: short stacking energy: -33.895
Base-Backbone interact. energy: -0.026
local terms energy: -78.255444
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -422.614051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.614051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.614051 (E_RNA)
where:
Base-Base interactions energy: -299.327
where: short stacking energy: -125.525
Base-Backbone interact. energy: -0.006
local terms energy: -123.280500
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -25.196
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -17.687
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: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -419.334119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.334119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.334119 (E_RNA)
where:
Base-Base interactions energy: -295.743
where: short stacking energy: -120.140
Base-Backbone interact. energy: -0.436
local terms energy: -123.154600
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -36.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -412.471837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.471837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.471837 (E_RNA)
where:
Base-Base interactions energy: -294.909
where: short stacking energy: -120.713
Base-Backbone interact. energy: -0.414
local terms energy: -117.149602
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -36.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -394.048796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.048796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.048796 (E_RNA)
where:
Base-Base interactions energy: -289.892
where: short stacking energy: -112.967
Base-Backbone interact. energy: -0.441
local terms energy: -103.715581
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -31.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -402.391862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.391862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.391862 (E_RNA)
where:
Base-Base interactions energy: -293.182
where: short stacking energy: -121.700
Base-Backbone interact. energy: -0.175
local terms energy: -109.035326
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -32.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -385.352544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.352544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.352544 (E_RNA)
where:
Base-Base interactions energy: -273.516
where: short stacking energy: -108.708
Base-Backbone interact. energy: -0.394
local terms energy: -111.442646
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -30.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -343.758379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.758379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.758379 (E_RNA)
where:
Base-Base interactions energy: -256.815
where: short stacking energy: -104.847
Base-Backbone interact. energy: -0.478
local terms energy: -86.464981
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -129.686932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.686932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.686932 (E_RNA)
where:
Base-Base interactions energy: -63.859
where: short stacking energy: -48.686
Base-Backbone interact. energy: -0.414
local terms energy: -65.414656
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -113.812081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.812081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.812081 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -34.066
Base-Backbone interact. energy: -0.044
local terms energy: -72.808889
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -114.055313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.055313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.055313 (E_RNA)
where:
Base-Base interactions energy: -38.525
where: short stacking energy: -38.325
Base-Backbone interact. energy: 0.408
local terms energy: -75.938398
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -7.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -419.286032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.286032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.286032 (E_RNA)
where:
Base-Base interactions energy: -293.437
where: short stacking energy: -122.906
Base-Backbone interact. energy: -0.394
local terms energy: -125.455418
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -37.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -420.638038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.638038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.638038 (E_RNA)
where:
Base-Base interactions energy: -304.703
where: short stacking energy: -121.311
Base-Backbone interact. energy: -0.042
local terms energy: -115.893720
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -36.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -414.349323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.349323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.349323 (E_RNA)
where:
Base-Base interactions energy: -303.747
where: short stacking energy: -126.544
Base-Backbone interact. energy: -0.014
local terms energy: -110.588991
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -35.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -414.380552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.380552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.380552 (E_RNA)
where:
Base-Base interactions energy: -297.872
where: short stacking energy: -124.788
Base-Backbone interact. energy: -0.281
local terms energy: -116.227845
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -13.424
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: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -398.676383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.676383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.676383 (E_RNA)
where:
Base-Base interactions energy: -280.837
where: short stacking energy: -116.449
Base-Backbone interact. energy: -0.013
local terms energy: -117.826472
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -34.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -397.062832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.062832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.062832 (E_RNA)
where:
Base-Base interactions energy: -280.971
where: short stacking energy: -116.212
Base-Backbone interact. energy: -0.287
local terms energy: -115.804773
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -15.357
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: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -348.785864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.785864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.785864 (E_RNA)
where:
Base-Base interactions energy: -254.729
where: short stacking energy: -101.514
Base-Backbone interact. energy: -0.693
local terms energy: -93.363824
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -30.163
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: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -125.338715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.338715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.338715 (E_RNA)
where:
Base-Base interactions energy: -48.134
where: short stacking energy: -38.146
Base-Backbone interact. energy: -0.145
local terms energy: -77.060110
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -111.697472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.697472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.697472 (E_RNA)
where:
Base-Base interactions energy: -49.304
where: short stacking energy: -28.433
Base-Backbone interact. energy: -0.413
local terms energy: -61.980145
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: 0.415
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: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -116.939577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.939577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.939577 (E_RNA)
where:
Base-Base interactions energy: -43.704
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.192
local terms energy: -73.043513
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -3.191
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: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -425.877350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.877350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.877350 (E_RNA)
where:
Base-Base interactions energy: -302.379
where: short stacking energy: -123.974
Base-Backbone interact. energy: -0.041
local terms energy: -123.456983
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -25.381
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -36.268
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: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -420.883797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.883797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.883797 (E_RNA)
where:
Base-Base interactions energy: -298.313
where: short stacking energy: -124.967
Base-Backbone interact. energy: -0.002
local terms energy: -122.567918
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -34.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -418.227995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.227995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.227995 (E_RNA)
where:
Base-Base interactions energy: -295.486
where: short stacking energy: -121.548
Base-Backbone interact. energy: -0.084
local terms energy: -122.658397
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -34.253
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: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -397.641646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.641646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.641646 (E_RNA)
where:
Base-Base interactions energy: -275.865
where: short stacking energy: -105.672
Base-Backbone interact. energy: -0.002
local terms energy: -121.775191
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -34.154
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: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -394.823748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.823748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.823748 (E_RNA)
where:
Base-Base interactions energy: -281.207
where: short stacking energy: -117.700
Base-Backbone interact. energy: -0.000
local terms energy: -113.616415
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -34.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -391.451167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.451167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.451167 (E_RNA)
where:
Base-Base interactions energy: -276.542
where: short stacking energy: -115.500
Base-Backbone interact. energy: -0.613
local terms energy: -114.296467
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -36.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -389.430104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.430104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.430104 (E_RNA)
where:
Base-Base interactions energy: -273.976
where: short stacking energy: -121.988
Base-Backbone interact. energy: -0.280
local terms energy: -115.174074
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -35.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -125.520831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.520831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.520831 (E_RNA)
where:
Base-Base interactions energy: -66.040
where: short stacking energy: -43.557
Base-Backbone interact. energy: -0.177
local terms energy: -59.302990
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -112.504165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.504165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.504165 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -32.456
Base-Backbone interact. energy: -0.669
local terms energy: -73.930151
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -1.311
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: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -108.865882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.865882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.865882 (E_RNA)
where:
Base-Base interactions energy: -38.308
where: short stacking energy: -28.668
Base-Backbone interact. energy: -0.673
local terms energy: -69.884989
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -425.440070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.440070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.440070 (E_RNA)
where:
Base-Base interactions energy: -302.106
where: short stacking energy: -124.422
Base-Backbone interact. energy: -0.001
local terms energy: -123.333450
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -37.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -414.895621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.895621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.895621 (E_RNA)
where:
Base-Base interactions energy: -294.550
where: short stacking energy: -117.874
Base-Backbone interact. energy: -0.007
local terms energy: -120.338619
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -25.798
flat angles P-C4'-P energy: -20.632
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: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -408.194328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.194328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.194328 (E_RNA)
where:
Base-Base interactions energy: -290.627
where: short stacking energy: -121.687
Base-Backbone interact. energy: -0.002
local terms energy: -117.565472
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -35.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -406.900464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.900464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.900464 (E_RNA)
where:
Base-Base interactions energy: -284.598
where: short stacking energy: -115.964
Base-Backbone interact. energy: -0.164
local terms energy: -122.138981
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -36.086
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: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -397.695501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.695501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.695501 (E_RNA)
where:
Base-Base interactions energy: -282.735
where: short stacking energy: -116.114
Base-Backbone interact. energy: -0.022
local terms energy: -114.938469
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -34.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -396.720662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.720662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.720662 (E_RNA)
where:
Base-Base interactions energy: -282.235
where: short stacking energy: -110.988
Base-Backbone interact. energy: -1.081
local terms energy: -113.404141
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -32.863
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: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -396.795317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.795317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.795317 (E_RNA)
where:
Base-Base interactions energy: -282.334
where: short stacking energy: -115.362
Base-Backbone interact. energy: -0.012
local terms energy: -114.449697
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -22.544
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -36.662
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: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -119.833765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.833765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.833765 (E_RNA)
where:
Base-Base interactions energy: -47.574
where: short stacking energy: -39.209
Base-Backbone interact. energy: -0.160
local terms energy: -72.099561
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -119.617722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.617722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.617722 (E_RNA)
where:
Base-Base interactions energy: -50.434
where: short stacking energy: -38.955
Base-Backbone interact. energy: 0.988
local terms energy: -70.172472
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: 1.623
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: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -102.688979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.688979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.688979 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -24.972
Base-Backbone interact. energy: -0.101
local terms energy: -64.966178
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: 1.563
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: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -418.923937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.923937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.923937 (E_RNA)
where:
Base-Base interactions energy: -300.508
where: short stacking energy: -124.201
Base-Backbone interact. energy: 0.182
local terms energy: -118.598468
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -35.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -418.394214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.394214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.394214 (E_RNA)
where:
Base-Base interactions energy: -296.113
where: short stacking energy: -122.452
Base-Backbone interact. energy: -0.003
local terms energy: -122.278551
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -35.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -422.532567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.532567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.532567 (E_RNA)
where:
Base-Base interactions energy: -295.686
where: short stacking energy: -123.573
Base-Backbone interact. energy: -0.002
local terms energy: -126.844443
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -25.810
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -37.910
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: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -401.039709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.039709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.039709 (E_RNA)
where:
Base-Base interactions energy: -286.693
where: short stacking energy: -121.104
Base-Backbone interact. energy: 1.256
local terms energy: -115.602808
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -32.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -402.595674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.595674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.595674 (E_RNA)
where:
Base-Base interactions energy: -286.500
where: short stacking energy: -116.959
Base-Backbone interact. energy: -0.000
local terms energy: -116.095181
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -37.473
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: 6, replica: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -392.361124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.361124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.361124 (E_RNA)
where:
Base-Base interactions energy: -287.953
where: short stacking energy: -120.610
Base-Backbone interact. energy: 0.926
local terms energy: -105.333784
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -34.463
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: 109
Temperature: 1.200000
Total energy: -395.819006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.819006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.819006 (E_RNA)
where:
Base-Base interactions energy: -280.942
where: short stacking energy: -110.640
Base-Backbone interact. energy: -0.493
local terms energy: -114.383484
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -35.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -123.410399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.410399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.410399 (E_RNA)
where:
Base-Base interactions energy: -68.119
where: short stacking energy: -29.416
Base-Backbone interact. energy: -0.472
local terms energy: -54.819391
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: 0.055
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: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -113.520215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.520215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.520215 (E_RNA)
where:
Base-Base interactions energy: -44.635
where: short stacking energy: -38.468
Base-Backbone interact. energy: -0.139
local terms energy: -68.746113
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -101.760646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.760646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.760646 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -32.073
Base-Backbone interact. energy: -0.123
local terms energy: -68.568911
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -4.661
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: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -423.905062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.905062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.905062 (E_RNA)
where:
Base-Base interactions energy: -304.231
where: short stacking energy: -128.309
Base-Backbone interact. energy: -0.000
local terms energy: -119.673537
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -37.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -415.112316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.112316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.112316 (E_RNA)
where:
Base-Base interactions energy: -291.474
where: short stacking energy: -120.443
Base-Backbone interact. energy: -1.026
local terms energy: -122.612182
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -36.228
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: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -411.316819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.316819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.316819 (E_RNA)
where:
Base-Base interactions energy: -289.844
where: short stacking energy: -119.034
Base-Backbone interact. energy: -0.042
local terms energy: -121.430614
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -36.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -408.219542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.219542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.219542 (E_RNA)
where:
Base-Base interactions energy: -288.903
where: short stacking energy: -120.948
Base-Backbone interact. energy: -0.256
local terms energy: -119.060862
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -35.986
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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -395.276628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.276628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.276628 (E_RNA)
where:
Base-Base interactions energy: -282.772
where: short stacking energy: -124.428
Base-Backbone interact. energy: -0.002
local terms energy: -112.502217
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -31.744
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: 110
Temperature: 1.150000
Total energy: -394.029634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.029634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.029634 (E_RNA)
where:
Base-Base interactions energy: -280.503
where: short stacking energy: -113.456
Base-Backbone interact. energy: 2.275
local terms energy: -115.801913
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -30.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -364.540236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.540236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.540236 (E_RNA)
where:
Base-Base interactions energy: -253.262
where: short stacking energy: -104.394
Base-Backbone interact. energy: -0.071
local terms energy: -111.207707
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -30.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -117.614460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.614460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.614460 (E_RNA)
where:
Base-Base interactions energy: -47.028
where: short stacking energy: -39.644
Base-Backbone interact. energy: 0.636
local terms energy: -71.222404
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -120.213216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.213216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.213216 (E_RNA)
where:
Base-Base interactions energy: -69.629
where: short stacking energy: -44.638
Base-Backbone interact. energy: 0.655
local terms energy: -51.239874
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: 4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -122.823275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.823275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.823275 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.238
local terms energy: -73.905318
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -430.565778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.565778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.565778 (E_RNA)
where:
Base-Base interactions energy: -307.822
where: short stacking energy: -128.254
Base-Backbone interact. energy: -0.279
local terms energy: -122.464867
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -36.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -413.621080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.621080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.621080 (E_RNA)
where:
Base-Base interactions energy: -293.999
where: short stacking energy: -121.319
Base-Backbone interact. energy: -0.012
local terms energy: -119.610106
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -17.994
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: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -407.118881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.118881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.118881 (E_RNA)
where:
Base-Base interactions energy: -294.670
where: short stacking energy: -122.830
Base-Backbone interact. energy: -0.120
local terms energy: -112.329062
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -38.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -408.429778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.429778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.429778 (E_RNA)
where:
Base-Base interactions energy: -289.018
where: short stacking energy: -119.578
Base-Backbone interact. energy: 0.780
local terms energy: -120.191677
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -19.637
tors. eta vs tors. theta energy: -34.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -398.195728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.195728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.195728 (E_RNA)
where:
Base-Base interactions energy: -277.768
where: short stacking energy: -120.718
Base-Backbone interact. energy: -0.150
local terms energy: -120.277411
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -33.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -398.722762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.722762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.722762 (E_RNA)
where:
Base-Base interactions energy: -277.384
where: short stacking energy: -110.114
Base-Backbone interact. energy: -0.727
local terms energy: -120.611654
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -34.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -389.342317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.342317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.342317 (E_RNA)
where:
Base-Base interactions energy: -282.360
where: short stacking energy: -113.376
Base-Backbone interact. energy: -0.413
local terms energy: -106.569217
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -14.873
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: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -118.942129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.942129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.942129 (E_RNA)
where:
Base-Base interactions energy: -52.140
where: short stacking energy: -38.112
Base-Backbone interact. energy: 0.622
local terms energy: -67.424154
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -117.169200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.169200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.169200 (E_RNA)
where:
Base-Base interactions energy: -49.542
where: short stacking energy: -40.425
Base-Backbone interact. energy: 0.905
local terms energy: -68.532300
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -6.005
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: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -111.233478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.233478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.233478 (E_RNA)
where:
Base-Base interactions energy: -36.226
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.188
local terms energy: -74.819519
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -7.574
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: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -424.380533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.380533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.380533 (E_RNA)
where:
Base-Base interactions energy: -299.970
where: short stacking energy: -126.224
Base-Backbone interact. energy: -0.297
local terms energy: -124.112994
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -38.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -412.925234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.925234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.925234 (E_RNA)
where:
Base-Base interactions energy: -292.883
where: short stacking energy: -122.505
Base-Backbone interact. energy: -0.001
local terms energy: -120.040538
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -37.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -418.492809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.492809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.492809 (E_RNA)
where:
Base-Base interactions energy: -306.048
where: short stacking energy: -124.027
Base-Backbone interact. energy: -0.539
local terms energy: -111.906435
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -36.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -409.213512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.213512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.213512 (E_RNA)
where:
Base-Base interactions energy: -282.303
where: short stacking energy: -119.128
Base-Backbone interact. energy: -0.003
local terms energy: -126.908031
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -37.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -404.805702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.805702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.805702 (E_RNA)
where:
Base-Base interactions energy: -291.153
where: short stacking energy: -118.918
Base-Backbone interact. energy: -0.476
local terms energy: -113.176779
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -34.889
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: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -395.800989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.800989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.800989 (E_RNA)
where:
Base-Base interactions energy: -281.897
where: short stacking energy: -118.239
Base-Backbone interact. energy: -0.002
local terms energy: -113.901901
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -34.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -374.505815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.505815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.505815 (E_RNA)
where:
Base-Base interactions energy: -265.880
where: short stacking energy: -106.430
Base-Backbone interact. energy: -0.004
local terms energy: -108.621844
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -35.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -122.882913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.882913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.882913 (E_RNA)
where:
Base-Base interactions energy: -60.431
where: short stacking energy: -35.088
Base-Backbone interact. energy: 2.893
local terms energy: -65.345197
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: 3.508
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: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -114.442347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.442347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.442347 (E_RNA)
where:
Base-Base interactions energy: -41.983
where: short stacking energy: -39.816
Base-Backbone interact. energy: -0.109
local terms energy: -72.350506
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -4.566
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: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -115.512096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.512096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.512096 (E_RNA)
where:
Base-Base interactions energy: -42.079
where: short stacking energy: -39.398
Base-Backbone interact. energy: -0.102
local terms energy: -73.330843
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -422.808128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.808128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.808128 (E_RNA)
where:
Base-Base interactions energy: -301.510
where: short stacking energy: -129.478
Base-Backbone interact. energy: -0.007
local terms energy: -121.290521
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -35.094
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: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -412.011947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.011947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.011947 (E_RNA)
where:
Base-Base interactions energy: -291.164
where: short stacking energy: -116.403
Base-Backbone interact. energy: -0.003
local terms energy: -120.844991
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -26.217
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -36.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -423.719912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.719912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.719912 (E_RNA)
where:
Base-Base interactions energy: -298.380
where: short stacking energy: -123.841
Base-Backbone interact. energy: -0.167
local terms energy: -125.173181
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -37.983
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: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -405.056847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.056847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.056847 (E_RNA)
where:
Base-Base interactions energy: -282.185
where: short stacking energy: -109.664
Base-Backbone interact. energy: -0.001
local terms energy: -122.870294
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -34.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -400.661350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.661350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.661350 (E_RNA)
where:
Base-Base interactions energy: -292.654
where: short stacking energy: -117.229
Base-Backbone interact. energy: -0.002
local terms energy: -108.005360
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -34.180
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -383.681912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.681912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.681912 (E_RNA)
where:
Base-Base interactions energy: -274.073
where: short stacking energy: -115.435
Base-Backbone interact. energy: -0.268
local terms energy: -109.341231
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -29.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -387.099269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.099269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.099269 (E_RNA)
where:
Base-Base interactions energy: -278.330
where: short stacking energy: -113.216
Base-Backbone interact. energy: 2.986
local terms energy: -111.755414
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -24.580
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -33.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -113.952384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.952384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.952384 (E_RNA)
where:
Base-Base interactions energy: -43.757
where: short stacking energy: -39.600
Base-Backbone interact. energy: -0.473
local terms energy: -69.722648
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -6.944
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: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -128.430114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.430114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.430114 (E_RNA)
where:
Base-Base interactions energy: -58.539
where: short stacking energy: -43.108
Base-Backbone interact. energy: -0.130
local terms energy: -69.761420
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -112.427487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.427487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.427487 (E_RNA)
where:
Base-Base interactions energy: -40.193
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.205
local terms energy: -72.029076
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -4.824
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: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -419.775227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.775227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.775227 (E_RNA)
where:
Base-Base interactions energy: -295.081
where: short stacking energy: -118.652
Base-Backbone interact. energy: -0.122
local terms energy: -124.572424
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -36.901
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: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -416.034530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.034530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.034530 (E_RNA)
where:
Base-Base interactions energy: -294.156
where: short stacking energy: -121.443
Base-Backbone interact. energy: -0.104
local terms energy: -121.775077
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -34.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -409.013544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.013544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.013544 (E_RNA)
where:
Base-Base interactions energy: -288.124
where: short stacking energy: -123.046
Base-Backbone interact. energy: -0.244
local terms energy: -120.646119
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -35.197
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: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -404.787246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.787246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.787246 (E_RNA)
where:
Base-Base interactions energy: -290.247
where: short stacking energy: -121.387
Base-Backbone interact. energy: -0.052
local terms energy: -114.487878
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -36.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -387.697837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.697837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.697837 (E_RNA)
where:
Base-Base interactions energy: -274.082
where: short stacking energy: -110.008
Base-Backbone interact. energy: -0.895
local terms energy: -112.720408
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -34.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -402.073915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.073915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.073915 (E_RNA)
where:
Base-Base interactions energy: -287.011
where: short stacking energy: -113.509
Base-Backbone interact. energy: -0.043
local terms energy: -115.019670
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -34.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -392.663278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.663278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.663278 (E_RNA)
where:
Base-Base interactions energy: -287.013
where: short stacking energy: -114.581
Base-Backbone interact. energy: -0.002
local terms energy: -105.648977
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -34.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -111.017441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.017441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.017441 (E_RNA)
where:
Base-Base interactions energy: -45.465
where: short stacking energy: -29.373
Base-Backbone interact. energy: -0.863
local terms energy: -64.689099
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -126.445358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.445358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.445358 (E_RNA)
where:
Base-Base interactions energy: -45.311
where: short stacking energy: -44.013
Base-Backbone interact. energy: -0.233
local terms energy: -80.901617
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -6.815
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: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -104.607462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.607462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.607462 (E_RNA)
where:
Base-Base interactions energy: -40.931
where: short stacking energy: -35.116
Base-Backbone interact. energy: 0.699
local terms energy: -64.375483
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -418.209326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.209326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.209326 (E_RNA)
where:
Base-Base interactions energy: -294.768
where: short stacking energy: -116.460
Base-Backbone interact. energy: -0.115
local terms energy: -123.326768
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -33.961
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: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -413.279067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.279067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.279067 (E_RNA)
where:
Base-Base interactions energy: -290.376
where: short stacking energy: -122.017
Base-Backbone interact. energy: -0.007
local terms energy: -122.895952
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -407.359143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.359143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.359143 (E_RNA)
where:
Base-Base interactions energy: -280.928
where: short stacking energy: -119.481
Base-Backbone interact. energy: -0.239
local terms energy: -126.191964
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -17.307
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: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -404.463107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.463107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.463107 (E_RNA)
where:
Base-Base interactions energy: -291.301
where: short stacking energy: -119.352
Base-Backbone interact. energy: -0.001
local terms energy: -113.161265
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -37.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -400.006019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.006019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.006019 (E_RNA)
where:
Base-Base interactions energy: -281.821
where: short stacking energy: -114.019
Base-Backbone interact. energy: -0.079
local terms energy: -118.105956
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -33.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -399.010901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.010901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.010901 (E_RNA)
where:
Base-Base interactions energy: -278.101
where: short stacking energy: -115.606
Base-Backbone interact. energy: -0.001
local terms energy: -120.909638
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -37.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -382.988966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.988966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.988966 (E_RNA)
where:
Base-Base interactions energy: -270.320
where: short stacking energy: -112.079
Base-Backbone interact. energy: -0.585
local terms energy: -112.084881
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -31.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -128.003805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.003805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.003805 (E_RNA)
where:
Base-Base interactions energy: -49.723
where: short stacking energy: -46.587
Base-Backbone interact. energy: -0.203
local terms energy: -78.078319
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -112.976279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.976279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.976279 (E_RNA)
where:
Base-Base interactions energy: -48.886
where: short stacking energy: -39.480
Base-Backbone interact. energy: -0.435
local terms energy: -63.655722
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -95.223051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.223051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.223051 (E_RNA)
where:
Base-Base interactions energy: -43.603
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.653
local terms energy: -50.967056
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: 2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -420.556334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.556334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.556334 (E_RNA)
where:
Base-Base interactions energy: -293.716
where: short stacking energy: -128.171
Base-Backbone interact. energy: -0.014
local terms energy: -126.825710
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -36.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -410.186182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.186182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.186182 (E_RNA)
where:
Base-Base interactions energy: -285.387
where: short stacking energy: -117.412
Base-Backbone interact. energy: -0.004
local terms energy: -124.795336
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -36.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -409.313798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.313798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.313798 (E_RNA)
where:
Base-Base interactions energy: -296.930
where: short stacking energy: -125.306
Base-Backbone interact. energy: 1.419
local terms energy: -113.802817
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -36.331
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: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -401.958355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.958355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.958355 (E_RNA)
where:
Base-Base interactions energy: -283.632
where: short stacking energy: -115.276
Base-Backbone interact. energy: 0.499
local terms energy: -118.825668
where:
bonds (distance) C4'-P energy: -21.901
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -32.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -396.877644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.877644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.877644 (E_RNA)
where:
Base-Base interactions energy: -278.068
where: short stacking energy: -116.031
Base-Backbone interact. energy: 0.005
local terms energy: -118.814217
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -33.105
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: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -393.076027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.076027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.076027 (E_RNA)
where:
Base-Base interactions energy: -279.903
where: short stacking energy: -116.546
Base-Backbone interact. energy: -0.002
local terms energy: -113.170832
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -14.172
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: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -381.623894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.623894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.623894 (E_RNA)
where:
Base-Base interactions energy: -265.997
where: short stacking energy: -108.080
Base-Backbone interact. energy: -0.405
local terms energy: -115.222153
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -35.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -112.263295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.263295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.263295 (E_RNA)
where:
Base-Base interactions energy: -44.667
where: short stacking energy: -41.457
Base-Backbone interact. energy: -0.219
local terms energy: -67.377145
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -17.818
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: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -108.325960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.325960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.325960 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -33.024
Base-Backbone interact. energy: -0.151
local terms energy: -73.964537
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -3.167
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: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -101.943785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.943785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.943785 (E_RNA)
where:
Base-Base interactions energy: -32.480
where: short stacking energy: -28.219
Base-Backbone interact. energy: -0.873
local terms energy: -68.591182
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: 0.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -419.534419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.534419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.534419 (E_RNA)
where:
Base-Base interactions energy: -294.470
where: short stacking energy: -120.372
Base-Backbone interact. energy: -1.190
local terms energy: -123.874543
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -37.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -414.958834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.958834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.958834 (E_RNA)
where:
Base-Base interactions energy: -288.666
where: short stacking energy: -124.810
Base-Backbone interact. energy: -0.122
local terms energy: -126.171006
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -36.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -413.081955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.081955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.081955 (E_RNA)
where:
Base-Base interactions energy: -292.956
where: short stacking energy: -119.622
Base-Backbone interact. energy: -0.025
local terms energy: -120.101042
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -38.913
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: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -406.454694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.454694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.454694 (E_RNA)
where:
Base-Base interactions energy: -286.958
where: short stacking energy: -114.760
Base-Backbone interact. energy: -0.483
local terms energy: -119.014437
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -35.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -405.336553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.336553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.336553 (E_RNA)
where:
Base-Base interactions energy: -284.368
where: short stacking energy: -111.723
Base-Backbone interact. energy: -0.038
local terms energy: -120.930032
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -34.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -398.748590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.748590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.748590 (E_RNA)
where:
Base-Base interactions energy: -280.336
where: short stacking energy: -122.788
Base-Backbone interact. energy: -0.831
local terms energy: -117.581776
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -32.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -387.760595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.760595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.760595 (E_RNA)
where:
Base-Base interactions energy: -278.195
where: short stacking energy: -110.282
Base-Backbone interact. energy: -0.060
local terms energy: -109.505172
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -33.124
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: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -117.891262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.891262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.891262 (E_RNA)
where:
Base-Base interactions energy: -45.731
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.084
local terms energy: -72.076814
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -110.288549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.288549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.288549 (E_RNA)
where:
Base-Base interactions energy: -45.219
where: short stacking energy: -28.035
Base-Backbone interact. energy: 0.385
local terms energy: -65.454076
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: 1.043
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: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -121.878950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.878950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.878950 (E_RNA)
where:
Base-Base interactions energy: -71.373
where: short stacking energy: -25.715
Base-Backbone interact. energy: -0.781
local terms energy: -49.725130
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: 7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -422.695090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.695090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.695090 (E_RNA)
where:
Base-Base interactions energy: -299.082
where: short stacking energy: -122.922
Base-Backbone interact. energy: -0.003
local terms energy: -123.610091
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -412.733666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.733666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.733666 (E_RNA)
where:
Base-Base interactions energy: -295.216
where: short stacking energy: -116.530
Base-Backbone interact. energy: -0.725
local terms energy: -116.793069
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -32.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -417.995242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.995242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.995242 (E_RNA)
where:
Base-Base interactions energy: -297.406
where: short stacking energy: -122.767
Base-Backbone interact. energy: -0.971
local terms energy: -119.617893
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -34.589
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: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -399.772132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.772132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.772132 (E_RNA)
where:
Base-Base interactions energy: -282.483
where: short stacking energy: -121.519
Base-Backbone interact. energy: -0.002
local terms energy: -117.286801
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -38.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -408.370962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.370962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.370962 (E_RNA)
where:
Base-Base interactions energy: -283.911
where: short stacking energy: -115.317
Base-Backbone interact. energy: -0.001
local terms energy: -124.459026
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -27.436
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -34.918
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: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -388.774134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.774134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.774134 (E_RNA)
where:
Base-Base interactions energy: -277.868
where: short stacking energy: -110.758
Base-Backbone interact. energy: 1.037
local terms energy: -111.943367
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -32.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -386.380889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.380889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.380889 (E_RNA)
where:
Base-Base interactions energy: -274.799
where: short stacking energy: -111.884
Base-Backbone interact. energy: -0.904
local terms energy: -110.677302
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -33.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -140.203471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.203471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.203471 (E_RNA)
where:
Base-Base interactions energy: -69.303
where: short stacking energy: -35.099
Base-Backbone interact. energy: -0.625
local terms energy: -70.275277
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -0.884
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: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -105.145814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.145814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.145814 (E_RNA)
where:
Base-Base interactions energy: -32.443
where: short stacking energy: -27.418
Base-Backbone interact. energy: 0.114
local terms energy: -72.815966
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -0.828
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: 2
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -99.709128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.709128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.709128 (E_RNA)
where:
Base-Base interactions energy: -31.555
where: short stacking energy: -25.511
Base-Backbone interact. energy: -1.498
local terms energy: -66.656523
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -0.094
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: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -424.191263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.191263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.191263 (E_RNA)
where:
Base-Base interactions energy: -304.782
where: short stacking energy: -122.091
Base-Backbone interact. energy: -0.001
local terms energy: -119.408242
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -34.049
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: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -417.482427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.482427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.482427 (E_RNA)
where:
Base-Base interactions energy: -296.296
where: short stacking energy: -119.112
Base-Backbone interact. energy: -0.008
local terms energy: -121.178641
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -35.955
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: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -409.313321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.313321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.313321 (E_RNA)
where:
Base-Base interactions energy: -294.168
where: short stacking energy: -117.016
Base-Backbone interact. energy: -0.592
local terms energy: -114.552912
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -428.412384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.412384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.412384 (E_RNA)
where:
Base-Base interactions energy: -297.580
where: short stacking energy: -125.132
Base-Backbone interact. energy: -0.237
local terms energy: -130.595348
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -35.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -410.502884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.502884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.502884 (E_RNA)
where:
Base-Base interactions energy: -290.846
where: short stacking energy: -121.467
Base-Backbone interact. energy: -0.895
local terms energy: -118.761256
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -36.828
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: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -398.687669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.687669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.687669 (E_RNA)
where:
Base-Base interactions energy: -290.537
where: short stacking energy: -121.452
Base-Backbone interact. energy: -0.009
local terms energy: -108.142134
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -33.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -372.008929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.008929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.008929 (E_RNA)
where:
Base-Base interactions energy: -258.944
where: short stacking energy: -95.488
Base-Backbone interact. energy: -0.202
local terms energy: -112.863439
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -30.873
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: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -123.643016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.643016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.643016 (E_RNA)
where:
Base-Base interactions energy: -52.777
where: short stacking energy: -42.521
Base-Backbone interact. energy: -0.318
local terms energy: -70.548178
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -6.349
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: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -133.074797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.074797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.074797 (E_RNA)
where:
Base-Base interactions energy: -61.922
where: short stacking energy: -55.439
Base-Backbone interact. energy: -0.560
local terms energy: -70.593355
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -100.014866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.014866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.014866 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -34.989
Base-Backbone interact. energy: 0.325
local terms energy: -65.351119
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -12.956
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: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -423.910208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.910208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.910208 (E_RNA)
where:
Base-Base interactions energy: -297.930
where: short stacking energy: -124.717
Base-Backbone interact. energy: -0.006
local terms energy: -125.973975
where:
bonds (distance) C4'-P energy: -22.501
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -37.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -413.548366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.548366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.548366 (E_RNA)
where:
Base-Base interactions energy: -296.645
where: short stacking energy: -119.121
Base-Backbone interact. energy: -0.369
local terms energy: -116.534642
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -33.527
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: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -404.117178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.117178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.117178 (E_RNA)
where:
Base-Base interactions energy: -282.559
where: short stacking energy: -113.386
Base-Backbone interact. energy: -0.072
local terms energy: -121.486318
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -33.412
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: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -409.392965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.392965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.392965 (E_RNA)
where:
Base-Base interactions energy: -289.262
where: short stacking energy: -120.112
Base-Backbone interact. energy: -0.003
local terms energy: -120.128378
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -37.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -405.462175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.462175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.462175 (E_RNA)
where:
Base-Base interactions energy: -277.769
where: short stacking energy: -110.563
Base-Backbone interact. energy: -0.336
local terms energy: -127.357404
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -18.177
tors. eta vs tors. theta energy: -34.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -393.393335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.393335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.393335 (E_RNA)
where:
Base-Base interactions energy: -283.898
where: short stacking energy: -114.985
Base-Backbone interact. energy: -0.009
local terms energy: -109.486397
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -35.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -379.403828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.403828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.403828 (E_RNA)
where:
Base-Base interactions energy: -272.885
where: short stacking energy: -115.525
Base-Backbone interact. energy: -0.917
local terms energy: -105.602139
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -33.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -115.044272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.044272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.044272 (E_RNA)
where:
Base-Base interactions energy: -45.758
where: short stacking energy: -37.941
Base-Backbone interact. energy: 0.300
local terms energy: -69.586315
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: 1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -126.983817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.983817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.983817 (E_RNA)
where:
Base-Base interactions energy: -48.162
where: short stacking energy: -44.156
Base-Backbone interact. energy: -1.001
local terms energy: -77.820038
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -114.797391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.797391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.797391 (E_RNA)
where:
Base-Base interactions energy: -46.688
where: short stacking energy: -32.793
Base-Backbone interact. energy: 1.509
local terms energy: -69.618606
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -418.863811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.863811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.863811 (E_RNA)
where:
Base-Base interactions energy: -296.726
where: short stacking energy: -118.694
Base-Backbone interact. energy: -0.001
local terms energy: -122.137448
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -36.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -414.664018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.664018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.664018 (E_RNA)
where:
Base-Base interactions energy: -291.945
where: short stacking energy: -118.844
Base-Backbone interact. energy: -0.002
local terms energy: -122.717136
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -27.046
flat angles P-C4'-P energy: -16.736
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: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -415.605214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.605214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.605214 (E_RNA)
where:
Base-Base interactions energy: -289.255
where: short stacking energy: -123.148
Base-Backbone interact. energy: 0.158
local terms energy: -126.508466
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -408.763971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.763971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.763971 (E_RNA)
where:
Base-Base interactions energy: -291.489
where: short stacking energy: -121.047
Base-Backbone interact. energy: -0.364
local terms energy: -116.910879
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -37.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -397.565960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.565960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.565960 (E_RNA)
where:
Base-Base interactions energy: -287.410
where: short stacking energy: -116.426
Base-Backbone interact. energy: -0.059
local terms energy: -110.097094
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -36.975
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: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -395.084232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.084232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.084232 (E_RNA)
where:
Base-Base interactions energy: -283.954
where: short stacking energy: -122.155
Base-Backbone interact. energy: -0.010
local terms energy: -111.120578
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -15.903
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: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -390.062778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.062778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.062778 (E_RNA)
where:
Base-Base interactions energy: -277.446
where: short stacking energy: -112.311
Base-Backbone interact. energy: -1.407
local terms energy: -111.209363
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -32.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -115.200487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.200487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.200487 (E_RNA)
where:
Base-Base interactions energy: -57.623
where: short stacking energy: -27.541
Base-Backbone interact. energy: 0.317
local terms energy: -57.894669
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: -0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -108.444281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.444281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.444281 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -35.901
Base-Backbone interact. energy: -0.350
local terms energy: -68.606759
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -24.295
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -111.688334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.688334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.688334 (E_RNA)
where:
Base-Base interactions energy: -56.621
where: short stacking energy: -36.849
Base-Backbone interact. energy: -0.704
local terms energy: -54.363542
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -6.119
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: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -422.727832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.727832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.727832 (E_RNA)
where:
Base-Base interactions energy: -305.673
where: short stacking energy: -126.587
Base-Backbone interact. energy: -0.704
local terms energy: -116.350685
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -35.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -416.951623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.951623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.951623 (E_RNA)
where:
Base-Base interactions energy: -304.602
where: short stacking energy: -119.350
Base-Backbone interact. energy: -0.325
local terms energy: -112.025136
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -37.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -411.410032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.410032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.410032 (E_RNA)
where:
Base-Base interactions energy: -285.874
where: short stacking energy: -114.920
Base-Backbone interact. energy: -0.414
local terms energy: -125.122059
where:
bonds (distance) C4'-P energy: -25.237
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -37.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -405.246821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.246821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.246821 (E_RNA)
where:
Base-Base interactions energy: -288.564
where: short stacking energy: -117.533
Base-Backbone interact. energy: -0.000
local terms energy: -116.682769
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -34.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -409.113739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.113739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.113739 (E_RNA)
where:
Base-Base interactions energy: -296.198
where: short stacking energy: -121.607
Base-Backbone interact. energy: -0.004
local terms energy: -112.912101
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -34.199
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: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -398.826274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.826274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.826274 (E_RNA)
where:
Base-Base interactions energy: -287.228
where: short stacking energy: -121.242
Base-Backbone interact. energy: -0.332
local terms energy: -111.266382
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -34.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -392.445224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.445224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.445224 (E_RNA)
where:
Base-Base interactions energy: -276.009
where: short stacking energy: -117.992
Base-Backbone interact. energy: -0.004
local terms energy: -116.432609
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -37.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -116.573690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.573690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.573690 (E_RNA)
where:
Base-Base interactions energy: -46.354
where: short stacking energy: -31.052
Base-Backbone interact. energy: -0.265
local terms energy: -69.954079
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -156.218068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.218068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.218068 (E_RNA)
where:
Base-Base interactions energy: -74.943
where: short stacking energy: -44.895
Base-Backbone interact. energy: -0.250
local terms energy: -81.025842
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -16.284
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: 10, replica: 2
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -108.655808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.655808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.655808 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -32.191
Base-Backbone interact. energy: 3.892
local terms energy: -76.438973
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -418.906008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.906008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.906008 (E_RNA)
where:
Base-Base interactions energy: -294.675
where: short stacking energy: -118.606
Base-Backbone interact. energy: -0.013
local terms energy: -124.218122
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -33.155
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: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -409.964854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.964854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.964854 (E_RNA)
where:
Base-Base interactions energy: -288.819
where: short stacking energy: -121.574
Base-Backbone interact. energy: -0.580
local terms energy: -120.565473
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -34.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -413.009069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.009069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.009069 (E_RNA)
where:
Base-Base interactions energy: -287.817
where: short stacking energy: -119.626
Base-Backbone interact. energy: -0.820
local terms energy: -124.372318
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -38.017
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: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -405.567908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.567908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.567908 (E_RNA)
where:
Base-Base interactions energy: -287.571
where: short stacking energy: -119.924
Base-Backbone interact. energy: -0.002
local terms energy: -117.994176
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -36.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -404.346970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.346970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.346970 (E_RNA)
where:
Base-Base interactions energy: -289.941
where: short stacking energy: -114.934
Base-Backbone interact. energy: -0.840
local terms energy: -113.566114
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -34.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -400.928865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.928865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.928865 (E_RNA)
where:
Base-Base interactions energy: -281.780
where: short stacking energy: -116.152
Base-Backbone interact. energy: -0.025
local terms energy: -119.124441
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -36.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -387.229343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.229343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.229343 (E_RNA)
where:
Base-Base interactions energy: -274.733
where: short stacking energy: -117.520
Base-Backbone interact. energy: -0.398
local terms energy: -112.099230
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -33.556
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: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -140.367862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.367862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.367862 (E_RNA)
where:
Base-Base interactions energy: -71.965
where: short stacking energy: -42.117
Base-Backbone interact. energy: -0.773
local terms energy: -67.628960
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -0.837
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: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -115.743380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.743380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.743380 (E_RNA)
where:
Base-Base interactions energy: -51.261
where: short stacking energy: -46.796
Base-Backbone interact. energy: -0.463
local terms energy: -64.018855
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -101.808249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.808249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.808249 (E_RNA)
where:
Base-Base interactions energy: -29.584
where: short stacking energy: -26.228
Base-Backbone interact. energy: 0.451
local terms energy: -72.675537
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -1.323
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: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -424.882768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.882768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.882768 (E_RNA)
where:
Base-Base interactions energy: -302.486
where: short stacking energy: -126.357
Base-Backbone interact. energy: -0.778
local terms energy: -121.619278
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -17.640
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: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -417.825707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.825707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.825707 (E_RNA)
where:
Base-Base interactions energy: -293.758
where: short stacking energy: -123.690
Base-Backbone interact. energy: -0.286
local terms energy: -123.782018
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -34.294
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: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -413.004613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.004613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.004613 (E_RNA)
where:
Base-Base interactions energy: -289.190
where: short stacking energy: -121.550
Base-Backbone interact. energy: -0.002
local terms energy: -123.812431
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -14.126
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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -395.449847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.449847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.449847 (E_RNA)
where:
Base-Base interactions energy: -287.071
where: short stacking energy: -115.850
Base-Backbone interact. energy: 0.699
local terms energy: -109.078130
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -25.288
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -34.237
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: 124
Temperature: 1.100000
Total energy: -393.385747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.385747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.385747 (E_RNA)
where:
Base-Base interactions energy: -279.323
where: short stacking energy: -112.250
Base-Backbone interact. energy: -0.229
local terms energy: -113.834007
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -32.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -379.703985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.703985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.703985 (E_RNA)
where:
Base-Base interactions energy: -272.813
where: short stacking energy: -110.574
Base-Backbone interact. energy: -0.288
local terms energy: -106.602562
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -29.623
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: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -386.962320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.962320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.962320 (E_RNA)
where:
Base-Base interactions energy: -274.576
where: short stacking energy: -117.684
Base-Backbone interact. energy: -0.418
local terms energy: -111.968027
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -34.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -154.684988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.684988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.684988 (E_RNA)
where:
Base-Base interactions energy: -87.194
where: short stacking energy: -50.846
Base-Backbone interact. energy: 0.954
local terms energy: -68.445392
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -11.847
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: 2
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -126.926582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.926582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.926582 (E_RNA)
where:
Base-Base interactions energy: -51.869
where: short stacking energy: -39.502
Base-Backbone interact. energy: -1.290
local terms energy: -73.767512
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -106.707512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.707512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.707512 (E_RNA)
where:
Base-Base interactions energy: -44.304
where: short stacking energy: -30.547
Base-Backbone interact. energy: -0.289
local terms energy: -62.114369
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: 0.609
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: 125
Temperature: 0.900000
Total energy: -415.009554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.009554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.009554 (E_RNA)
where:
Base-Base interactions energy: -285.875
where: short stacking energy: -121.245
Base-Backbone interact. energy: -0.123
local terms energy: -129.012089
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -33.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -414.986904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.986904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.986904 (E_RNA)
where:
Base-Base interactions energy: -295.380
where: short stacking energy: -124.621
Base-Backbone interact. energy: -0.619
local terms energy: -118.988477
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -37.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -412.334097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.334097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.334097 (E_RNA)
where:
Base-Base interactions energy: -289.647
where: short stacking energy: -122.483
Base-Backbone interact. energy: -0.005
local terms energy: -122.682199
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -21.860
tors. eta vs tors. theta energy: -36.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -408.534009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.534009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.534009 (E_RNA)
where:
Base-Base interactions energy: -291.292
where: short stacking energy: -125.054
Base-Backbone interact. energy: -0.281
local terms energy: -116.960993
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -37.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -398.925227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.925227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.925227 (E_RNA)
where:
Base-Base interactions energy: -281.408
where: short stacking energy: -115.197
Base-Backbone interact. energy: -0.492
local terms energy: -117.025368
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -36.876
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: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -391.088311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.088311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.088311 (E_RNA)
where:
Base-Base interactions energy: -287.645
where: short stacking energy: -113.883
Base-Backbone interact. energy: -0.297
local terms energy: -103.146303
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -29.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -399.759554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.759554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.759554 (E_RNA)
where:
Base-Base interactions energy: -282.993
where: short stacking energy: -121.051
Base-Backbone interact. energy: -0.630
local terms energy: -116.136468
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -35.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -122.156782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.156782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.156782 (E_RNA)
where:
Base-Base interactions energy: -46.008
where: short stacking energy: -44.365
Base-Backbone interact. energy: -0.167
local terms energy: -75.982276
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -7.588
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: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -157.302752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.302752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.302752 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -49.383
Base-Backbone interact. energy: -0.256
local terms energy: -69.242568
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -117.888826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.888826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.888826 (E_RNA)
where:
Base-Base interactions energy: -47.358
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.150
local terms energy: -70.380549
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -5.646
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: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -413.342782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.342782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.342782 (E_RNA)
where:
Base-Base interactions energy: -288.957
where: short stacking energy: -118.849
Base-Backbone interact. energy: 0.536
local terms energy: -124.921928
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -19.050
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -417.627894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.627894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.627894 (E_RNA)
where:
Base-Base interactions energy: -293.708
where: short stacking energy: -123.235
Base-Backbone interact. energy: -0.588
local terms energy: -123.332500
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -36.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -412.449489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.449489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.449489 (E_RNA)
where:
Base-Base interactions energy: -294.617
where: short stacking energy: -122.777
Base-Backbone interact. energy: -0.009
local terms energy: -117.823775
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -36.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -405.210872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.210872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.210872 (E_RNA)
where:
Base-Base interactions energy: -296.133
where: short stacking energy: -123.541
Base-Backbone interact. energy: -0.330
local terms energy: -108.748143
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -34.956
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: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -393.825677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.825677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.825677 (E_RNA)
where:
Base-Base interactions energy: -274.774
where: short stacking energy: -111.917
Base-Backbone interact. energy: -0.108
local terms energy: -118.943259
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -31.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -387.240517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.240517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.240517 (E_RNA)
where:
Base-Base interactions energy: -271.137
where: short stacking energy: -112.722
Base-Backbone interact. energy: -0.063
local terms energy: -116.040943
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -397.789462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.789462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.789462 (E_RNA)
where:
Base-Base interactions energy: -278.686
where: short stacking energy: -111.177
Base-Backbone interact. energy: -0.246
local terms energy: -118.857211
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -34.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -117.644726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.644726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.644726 (E_RNA)
where:
Base-Base interactions energy: -47.958
where: short stacking energy: -32.490
Base-Backbone interact. energy: -0.278
local terms energy: -69.408227
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -122.088248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.088248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.088248 (E_RNA)
where:
Base-Base interactions energy: -50.490
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.399
local terms energy: -71.199811
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -6.928
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -101.552649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.552649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.552649 (E_RNA)
where:
Base-Base interactions energy: -28.087
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.594
local terms energy: -72.871703
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -13.199
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: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -427.041455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.041455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.041455 (E_RNA)
where:
Base-Base interactions energy: -298.965
where: short stacking energy: -122.198
Base-Backbone interact. energy: -0.698
local terms energy: -127.379000
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -413.973053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.973053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.973053 (E_RNA)
where:
Base-Base interactions energy: -288.697
where: short stacking energy: -114.882
Base-Backbone interact. energy: -0.002
local terms energy: -125.273994
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -18.874
tors. eta vs tors. theta energy: -38.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -412.298624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.298624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.298624 (E_RNA)
where:
Base-Base interactions energy: -290.254
where: short stacking energy: -118.733
Base-Backbone interact. energy: -0.591
local terms energy: -121.453463
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -35.584
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: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -405.599012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.599012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.599012 (E_RNA)
where:
Base-Base interactions energy: -284.490
where: short stacking energy: -114.180
Base-Backbone interact. energy: -0.012
local terms energy: -121.097227
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -17.937
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: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -404.434174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.434174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.434174 (E_RNA)
where:
Base-Base interactions energy: -289.202
where: short stacking energy: -115.551
Base-Backbone interact. energy: -0.463
local terms energy: -114.768733
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -34.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -391.673266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.673266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.673266 (E_RNA)
where:
Base-Base interactions energy: -275.273
where: short stacking energy: -108.554
Base-Backbone interact. energy: -0.105
local terms energy: -116.295607
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -32.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -395.977020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.977020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.977020 (E_RNA)
where:
Base-Base interactions energy: -280.903
where: short stacking energy: -115.711
Base-Backbone interact. energy: -0.234
local terms energy: -114.839781
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -36.548
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: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -113.350951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.350951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.350951 (E_RNA)
where:
Base-Base interactions energy: -40.798
where: short stacking energy: -29.092
Base-Backbone interact. energy: -0.219
local terms energy: -72.333420
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -109.623176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.623176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.623176 (E_RNA)
where:
Base-Base interactions energy: -41.240
where: short stacking energy: -25.150
Base-Backbone interact. energy: -1.055
local terms energy: -67.328659
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: 4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -114.597512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.597512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.597512 (E_RNA)
where:
Base-Base interactions energy: -52.473
where: short stacking energy: -40.696
Base-Backbone interact. energy: 0.288
local terms energy: -62.412793
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.834
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: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -420.415970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.415970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.415970 (E_RNA)
where:
Base-Base interactions energy: -294.851
where: short stacking energy: -123.085
Base-Backbone interact. energy: -0.020
local terms energy: -125.545194
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -25.182
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -36.305
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: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -422.043557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.043557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.043557 (E_RNA)
where:
Base-Base interactions energy: -294.601
where: short stacking energy: -121.424
Base-Backbone interact. energy: -0.004
local terms energy: -127.438619
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -38.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -406.881647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.881647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.881647 (E_RNA)
where:
Base-Base interactions energy: -291.234
where: short stacking energy: -123.451
Base-Backbone interact. energy: -0.010
local terms energy: -115.638090
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -34.678
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: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -406.892852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.892852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.892852 (E_RNA)
where:
Base-Base interactions energy: -293.926
where: short stacking energy: -122.032
Base-Backbone interact. energy: -0.125
local terms energy: -112.841506
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -34.187
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: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -399.018074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.018074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.018074 (E_RNA)
where:
Base-Base interactions energy: -286.211
where: short stacking energy: -125.728
Base-Backbone interact. energy: -0.367
local terms energy: -112.439611
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -36.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -397.052658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.052658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.052658 (E_RNA)
where:
Base-Base interactions energy: -276.214
where: short stacking energy: -115.780
Base-Backbone interact. energy: 0.185
local terms energy: -121.023319
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -33.158
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: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -392.694497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.694497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.694497 (E_RNA)
where:
Base-Base interactions energy: -286.446
where: short stacking energy: -119.484
Base-Backbone interact. energy: -0.381
local terms energy: -105.867068
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -33.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -164.541610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.541610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.541610 (E_RNA)
where:
Base-Base interactions energy: -77.977
where: short stacking energy: -62.239
Base-Backbone interact. energy: -1.486
local terms energy: -85.077876
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -8.799
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: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -134.740654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.740654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.740654 (E_RNA)
where:
Base-Base interactions energy: -63.541
where: short stacking energy: -46.071
Base-Backbone interact. energy: 0.825
local terms energy: -72.025203
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: -11.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -110.256608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.256608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.256608 (E_RNA)
where:
Base-Base interactions energy: -43.631
where: short stacking energy: -32.914
Base-Backbone interact. energy: 0.206
local terms energy: -66.831496
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -5.637
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: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -433.804974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.804974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.804974 (E_RNA)
where:
Base-Base interactions energy: -305.946
where: short stacking energy: -126.933
Base-Backbone interact. energy: -0.045
local terms energy: -127.813766
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -38.125
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: 129
Temperature: 0.950000
Total energy: -412.597512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.597512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.597512 (E_RNA)
where:
Base-Base interactions energy: -289.294
where: short stacking energy: -115.304
Base-Backbone interact. energy: -0.146
local terms energy: -123.157754
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -35.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -412.493482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.493482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.493482 (E_RNA)
where:
Base-Base interactions energy: -293.510
where: short stacking energy: -124.851
Base-Backbone interact. energy: -0.632
local terms energy: -118.350977
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -37.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -398.845773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.845773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.845773 (E_RNA)
where:
Base-Base interactions energy: -281.536
where: short stacking energy: -111.918
Base-Backbone interact. energy: -0.029
local terms energy: -117.280767
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -35.004
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: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -399.914898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.914898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.914898 (E_RNA)
where:
Base-Base interactions energy: -284.007
where: short stacking energy: -115.312
Base-Backbone interact. energy: -0.001
local terms energy: -115.906295
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -35.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -396.724029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.724029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.724029 (E_RNA)
where:
Base-Base interactions energy: -272.241
where: short stacking energy: -109.141
Base-Backbone interact. energy: -0.117
local terms energy: -124.366466
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -31.796
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: 129
Temperature: 1.200000
Total energy: -389.596773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.596773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.596773 (E_RNA)
where:
Base-Base interactions energy: -279.274
where: short stacking energy: -113.415
Base-Backbone interact. energy: -0.018
local terms energy: -110.304597
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -34.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -126.345361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.345361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.345361 (E_RNA)
where:
Base-Base interactions energy: -55.790
where: short stacking energy: -42.475
Base-Backbone interact. energy: -0.169
local terms energy: -70.386173
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -118.117452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.117452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.117452 (E_RNA)
where:
Base-Base interactions energy: -53.501
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.572
local terms energy: -64.044065
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -13.093
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -105.897216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.897216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.897216 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -33.063
Base-Backbone interact. energy: -1.007
local terms energy: -70.058208
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: 0.410
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: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -417.736768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.736768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.736768 (E_RNA)
where:
Base-Base interactions energy: -293.050
where: short stacking energy: -125.847
Base-Backbone interact. energy: -0.124
local terms energy: -124.562147
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -21.863
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: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -414.234270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.234270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.234270 (E_RNA)
where:
Base-Base interactions energy: -285.705
where: short stacking energy: -119.200
Base-Backbone interact. energy: -0.242
local terms energy: -128.287382
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -25.834
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -37.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -412.268365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.268365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.268365 (E_RNA)
where:
Base-Base interactions energy: -289.761
where: short stacking energy: -121.269
Base-Backbone interact. energy: -0.160
local terms energy: -122.347755
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -34.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -407.394259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.394259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.394259 (E_RNA)
where:
Base-Base interactions energy: -285.916
where: short stacking energy: -118.808
Base-Backbone interact. energy: -0.576
local terms energy: -120.902145
where:
bonds (distance) C4'-P energy: -24.986
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -33.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -399.583836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.583836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.583836 (E_RNA)
where:
Base-Base interactions energy: -281.713
where: short stacking energy: -116.435
Base-Backbone interact. energy: -0.744
local terms energy: -117.126728
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -32.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -388.995086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.995086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.995086 (E_RNA)
where:
Base-Base interactions energy: -274.846
where: short stacking energy: -116.997
Base-Backbone interact. energy: -0.004
local terms energy: -114.145427
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -35.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -382.738070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.738070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.738070 (E_RNA)
where:
Base-Base interactions energy: -272.193
where: short stacking energy: -109.524
Base-Backbone interact. energy: -0.025
local terms energy: -110.520097
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -33.577
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: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -132.743735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.743735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.743735 (E_RNA)
where:
Base-Base interactions energy: -63.237
where: short stacking energy: -35.849
Base-Backbone interact. energy: 2.831
local terms energy: -72.337507
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -13.690
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -105.027532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.027532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.027532 (E_RNA)
where:
Base-Base interactions energy: -47.012
where: short stacking energy: -27.719
Base-Backbone interact. energy: -0.631
local terms energy: -57.385250
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -101.661662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.661662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.661662 (E_RNA)
where:
Base-Base interactions energy: -35.250
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.220
local terms energy: -66.191920
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -416.604622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.604622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.604622 (E_RNA)
where:
Base-Base interactions energy: -294.284
where: short stacking energy: -120.706
Base-Backbone interact. energy: -0.008
local terms energy: -122.312325
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -34.683
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: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -414.270837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.270837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.270837 (E_RNA)
where:
Base-Base interactions energy: -292.074
where: short stacking energy: -124.394
Base-Backbone interact. energy: 0.594
local terms energy: -122.791559
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: -35.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -419.225691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.225691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.225691 (E_RNA)
where:
Base-Base interactions energy: -297.398
where: short stacking energy: -116.056
Base-Backbone interact. energy: -0.003
local terms energy: -121.824159
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -36.096
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: 131
Temperature: 1.050000
Total energy: -397.696112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.696112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.696112 (E_RNA)
where:
Base-Base interactions energy: -278.934
where: short stacking energy: -121.020
Base-Backbone interact. energy: -0.015
local terms energy: -118.747614
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -33.916
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: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -400.530557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.530557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.530557 (E_RNA)
where:
Base-Base interactions energy: -286.861
where: short stacking energy: -114.004
Base-Backbone interact. energy: -0.220
local terms energy: -113.449410
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -36.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -395.660574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.660574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.660574 (E_RNA)
where:
Base-Base interactions energy: -277.870
where: short stacking energy: -118.518
Base-Backbone interact. energy: -0.070
local terms energy: -117.720299
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -33.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -394.780966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.780966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.780966 (E_RNA)
where:
Base-Base interactions energy: -281.490
where: short stacking energy: -111.425
Base-Backbone interact. energy: -0.283
local terms energy: -113.008166
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -34.433
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: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -127.558835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.558835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.558835 (E_RNA)
where:
Base-Base interactions energy: -56.706
where: short stacking energy: -43.456
Base-Backbone interact. energy: 0.037
local terms energy: -70.890754
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -10.962
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: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -103.574420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.574420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.574420 (E_RNA)
where:
Base-Base interactions energy: -34.310
where: short stacking energy: -33.437
Base-Backbone interact. energy: -0.252
local terms energy: -69.012471
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -103.869569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.869569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.869569 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.124
local terms energy: -72.836992
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -7.885
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: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -419.031213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.031213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.031213 (E_RNA)
where:
Base-Base interactions energy: -295.035
where: short stacking energy: -121.236
Base-Backbone interact. energy: -0.009
local terms energy: -123.987186
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -34.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -421.862765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.862765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.862765 (E_RNA)
where:
Base-Base interactions energy: -299.279
where: short stacking energy: -126.258
Base-Backbone interact. energy: -0.468
local terms energy: -122.115502
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -36.425
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: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -409.190360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.190360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.190360 (E_RNA)
where:
Base-Base interactions energy: -291.609
where: short stacking energy: -121.178
Base-Backbone interact. energy: 2.076
local terms energy: -119.657908
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -32.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -407.801214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.801214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.801214 (E_RNA)
where:
Base-Base interactions energy: -286.185
where: short stacking energy: -123.200
Base-Backbone interact. energy: -0.004
local terms energy: -121.612584
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -15.607
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: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -403.479767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.479767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.479767 (E_RNA)
where:
Base-Base interactions energy: -290.802
where: short stacking energy: -122.273
Base-Backbone interact. energy: -0.002
local terms energy: -112.675140
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -35.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -398.094906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.094906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.094906 (E_RNA)
where:
Base-Base interactions energy: -283.738
where: short stacking energy: -112.751
Base-Backbone interact. energy: -0.391
local terms energy: -113.965774
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -388.224726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.224726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.224726 (E_RNA)
where:
Base-Base interactions energy: -274.782
where: short stacking energy: -110.681
Base-Backbone interact. energy: -0.057
local terms energy: -113.385551
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -33.749
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: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -134.616036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.616036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.616036 (E_RNA)
where:
Base-Base interactions energy: -56.863
where: short stacking energy: -41.101
Base-Backbone interact. energy: -0.186
local terms energy: -77.566787
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -110.865542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.865542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.865542 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -27.043
Base-Backbone interact. energy: 0.288
local terms energy: -80.002801
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -16.299
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: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -106.919638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.919638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.919638 (E_RNA)
where:
Base-Base interactions energy: -46.770
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.311
local terms energy: -59.837827
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -421.170447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.170447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.170447 (E_RNA)
where:
Base-Base interactions energy: -301.807
where: short stacking energy: -123.761
Base-Backbone interact. energy: -0.001
local terms energy: -119.362911
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -35.982
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: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -418.240723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.240723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.240723 (E_RNA)
where:
Base-Base interactions energy: -292.466
where: short stacking energy: -121.586
Base-Backbone interact. energy: -0.003
local terms energy: -125.771981
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -20.603
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: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -411.263391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.263391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.263391 (E_RNA)
where:
Base-Base interactions energy: -287.073
where: short stacking energy: -122.725
Base-Backbone interact. energy: 1.123
local terms energy: -125.313088
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -36.193
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: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -399.973961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.973961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.973961 (E_RNA)
where:
Base-Base interactions energy: -284.020
where: short stacking energy: -118.348
Base-Backbone interact. energy: -0.588
local terms energy: -115.365568
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -34.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -395.370638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.370638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.370638 (E_RNA)
where:
Base-Base interactions energy: -283.867
where: short stacking energy: -117.225
Base-Backbone interact. energy: -0.567
local terms energy: -110.936722
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -36.505
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: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -389.309238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.309238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.309238 (E_RNA)
where:
Base-Base interactions energy: -274.520
where: short stacking energy: -112.129
Base-Backbone interact. energy: -0.613
local terms energy: -114.176494
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -34.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -382.743328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.743328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.743328 (E_RNA)
where:
Base-Base interactions energy: -274.932
where: short stacking energy: -113.013
Base-Backbone interact. energy: 0.165
local terms energy: -107.976345
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -33.273
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: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -121.131288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.131288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.131288 (E_RNA)
where:
Base-Base interactions energy: -55.707
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.208
local terms energy: -65.216735
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -4.034
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: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -116.192398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.192398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.192398 (E_RNA)
where:
Base-Base interactions energy: -57.033
where: short stacking energy: -28.797
Base-Backbone interact. energy: 1.094
local terms energy: -60.253045
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: 0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -103.870880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.870880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.870880 (E_RNA)
where:
Base-Base interactions energy: -31.942
where: short stacking energy: -27.287
Base-Backbone interact. energy: 0.214
local terms energy: -72.142576
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: 1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -417.133664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.133664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.133664 (E_RNA)
where:
Base-Base interactions energy: -294.742
where: short stacking energy: -119.900
Base-Backbone interact. energy: -0.010
local terms energy: -122.381606
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -35.761
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: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -411.275523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.275523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.275523 (E_RNA)
where:
Base-Base interactions energy: -297.930
where: short stacking energy: -128.483
Base-Backbone interact. energy: -0.002
local terms energy: -113.343974
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -35.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -413.506547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.506547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.506547 (E_RNA)
where:
Base-Base interactions energy: -290.013
where: short stacking energy: -112.169
Base-Backbone interact. energy: -0.018
local terms energy: -123.476114
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -35.569
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: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -405.231311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.231311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.231311 (E_RNA)
where:
Base-Base interactions energy: -281.974
where: short stacking energy: -116.242
Base-Backbone interact. energy: -0.106
local terms energy: -123.150723
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -34.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -398.536012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.536012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.536012 (E_RNA)
where:
Base-Base interactions energy: -280.393
where: short stacking energy: -117.992
Base-Backbone interact. energy: -0.575
local terms energy: -117.567343
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -38.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -392.861510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.861510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.861510 (E_RNA)
where:
Base-Base interactions energy: -283.537
where: short stacking energy: -109.894
Base-Backbone interact. energy: -0.009
local terms energy: -109.315464
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -35.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -385.519190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.519190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.519190 (E_RNA)
where:
Base-Base interactions energy: -274.634
where: short stacking energy: -107.598
Base-Backbone interact. energy: -0.421
local terms energy: -110.463876
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -33.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -126.371116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.371116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.371116 (E_RNA)
where:
Base-Base interactions energy: -53.726
where: short stacking energy: -53.726
Base-Backbone interact. energy: 0.110
local terms energy: -72.754785
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -6.741
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: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -112.093504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.093504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.093504 (E_RNA)
where:
Base-Base interactions energy: -44.456
where: short stacking energy: -38.583
Base-Backbone interact. energy: -0.086
local terms energy: -67.551875
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -0.428
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: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -110.471765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.471765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.471765 (E_RNA)
where:
Base-Base interactions energy: -41.548
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.172
local terms energy: -68.752008
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -3.115
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: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -416.567942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.567942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.567942 (E_RNA)
where:
Base-Base interactions energy: -293.267
where: short stacking energy: -119.614
Base-Backbone interact. energy: -0.000
local terms energy: -123.300440
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -34.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -415.489589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.489589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.489589 (E_RNA)
where:
Base-Base interactions energy: -301.007
where: short stacking energy: -125.382
Base-Backbone interact. energy: -0.086
local terms energy: -114.396520
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -36.809
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: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -404.704918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.704918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.704918 (E_RNA)
where:
Base-Base interactions energy: -285.750
where: short stacking energy: -115.168
Base-Backbone interact. energy: -0.005
local terms energy: -118.949362
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -33.859
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: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -407.896152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.896152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.896152 (E_RNA)
where:
Base-Base interactions energy: -288.199
where: short stacking energy: -117.303
Base-Backbone interact. energy: -0.156
local terms energy: -119.541206
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -36.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -398.302487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.302487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.302487 (E_RNA)
where:
Base-Base interactions energy: -279.238
where: short stacking energy: -114.436
Base-Backbone interact. energy: -0.001
local terms energy: -119.063500
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -35.876
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: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -400.981603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.981603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.981603 (E_RNA)
where:
Base-Base interactions energy: -286.238
where: short stacking energy: -110.329
Base-Backbone interact. energy: -0.007
local terms energy: -114.736596
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -36.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -396.122103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.122103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.122103 (E_RNA)
where:
Base-Base interactions energy: -285.459
where: short stacking energy: -118.339
Base-Backbone interact. energy: -0.160
local terms energy: -110.502975
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -33.797
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: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -142.234421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.234421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.234421 (E_RNA)
where:
Base-Base interactions energy: -44.246
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.275
local terms energy: -97.713501
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -22.812
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -114.319091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.319091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.319091 (E_RNA)
where:
Base-Base interactions energy: -46.052
where: short stacking energy: -46.354
Base-Backbone interact. energy: 0.745
local terms energy: -69.012324
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: 1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -116.344484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.344484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.344484 (E_RNA)
where:
Base-Base interactions energy: -36.751
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.014
local terms energy: -79.580273
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -423.963692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.963692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.963692 (E_RNA)
where:
Base-Base interactions energy: -301.590
where: short stacking energy: -121.338
Base-Backbone interact. energy: -0.649
local terms energy: -121.725378
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -34.682
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: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -412.672114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.672114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.672114 (E_RNA)
where:
Base-Base interactions energy: -287.165
where: short stacking energy: -119.208
Base-Backbone interact. energy: 0.397
local terms energy: -125.904593
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -19.116
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: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -413.159696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.159696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.159696 (E_RNA)
where:
Base-Base interactions energy: -287.496
where: short stacking energy: -120.167
Base-Backbone interact. energy: -0.797
local terms energy: -124.867092
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -23.329
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -36.129
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: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -408.226225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.226225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.226225 (E_RNA)
where:
Base-Base interactions energy: -284.113
where: short stacking energy: -123.901
Base-Backbone interact. energy: -0.011
local terms energy: -124.102106
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -35.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -398.880299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.880299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.880299 (E_RNA)
where:
Base-Base interactions energy: -281.074
where: short stacking energy: -112.693
Base-Backbone interact. energy: 0.497
local terms energy: -118.303272
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -33.216
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: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -387.840762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.840762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.840762 (E_RNA)
where:
Base-Base interactions energy: -287.551
where: short stacking energy: -114.414
Base-Backbone interact. energy: -0.072
local terms energy: -100.217572
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -33.646
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: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -383.018156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.018156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.018156 (E_RNA)
where:
Base-Base interactions energy: -272.016
where: short stacking energy: -110.217
Base-Backbone interact. energy: -0.013
local terms energy: -110.989212
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -32.181
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: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -118.304472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.304472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.304472 (E_RNA)
where:
Base-Base interactions energy: -48.281
where: short stacking energy: -26.775
Base-Backbone interact. energy: 0.589
local terms energy: -70.612637
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -128.529321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.529321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.529321 (E_RNA)
where:
Base-Base interactions energy: -52.419
where: short stacking energy: -40.974
Base-Backbone interact. energy: 0.456
local terms energy: -76.566406
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -100.175870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.175870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.175870 (E_RNA)
where:
Base-Base interactions energy: -31.699
where: short stacking energy: -29.457
Base-Backbone interact. energy: 0.311
local terms energy: -68.787988
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -0.177
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: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -422.685334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.685334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.685334 (E_RNA)
where:
Base-Base interactions energy: -297.326
where: short stacking energy: -125.339
Base-Backbone interact. energy: -0.239
local terms energy: -125.120547
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -36.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -425.780021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.780021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.780021 (E_RNA)
where:
Base-Base interactions energy: -301.894
where: short stacking energy: -123.546
Base-Backbone interact. energy: -0.006
local terms energy: -123.880175
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -39.236
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: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -419.952694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.952694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.952694 (E_RNA)
where:
Base-Base interactions energy: -291.035
where: short stacking energy: -121.361
Base-Backbone interact. energy: -0.658
local terms energy: -128.259532
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: -36.479
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: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -404.867107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.867107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.867107 (E_RNA)
where:
Base-Base interactions energy: -291.813
where: short stacking energy: -119.415
Base-Backbone interact. energy: -0.483
local terms energy: -112.571055
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -38.761
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: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -400.599703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.599703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.599703 (E_RNA)
where:
Base-Base interactions energy: -282.206
where: short stacking energy: -118.216
Base-Backbone interact. energy: 0.216
local terms energy: -118.609875
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -385.115031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.115031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.115031 (E_RNA)
where:
Base-Base interactions energy: -274.656
where: short stacking energy: -106.673
Base-Backbone interact. energy: -0.280
local terms energy: -110.178831
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -396.108557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.108557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.108557 (E_RNA)
where:
Base-Base interactions energy: -277.553
where: short stacking energy: -114.622
Base-Backbone interact. energy: 1.345
local terms energy: -119.901216
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -126.283398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.283398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.283398 (E_RNA)
where:
Base-Base interactions energy: -71.136
where: short stacking energy: -43.578
Base-Backbone interact. energy: 0.220
local terms energy: -55.367362
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -102.349879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.349879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.349879 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -30.308
Base-Backbone interact. energy: 1.468
local terms energy: -62.978848
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -9.068
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: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -101.773298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.773298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.773298 (E_RNA)
where:
Base-Base interactions energy: -49.248
where: short stacking energy: -35.129
Base-Backbone interact. energy: 0.121
local terms energy: -52.646119
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -429.301677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.301677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.301677 (E_RNA)
where:
Base-Base interactions energy: -303.894
where: short stacking energy: -122.875
Base-Backbone interact. energy: -0.005
local terms energy: -125.402915
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: -35.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -419.088271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.088271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.088271 (E_RNA)
where:
Base-Base interactions energy: -297.402
where: short stacking energy: -121.669
Base-Backbone interact. energy: -0.097
local terms energy: -121.589277
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -20.478
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: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -413.148064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.148064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.148064 (E_RNA)
where:
Base-Base interactions energy: -292.928
where: short stacking energy: -121.721
Base-Backbone interact. energy: 0.761
local terms energy: -120.981161
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -36.784
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: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -412.095156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.095156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.095156 (E_RNA)
where:
Base-Base interactions energy: -293.440
where: short stacking energy: -119.983
Base-Backbone interact. energy: -0.176
local terms energy: -118.479116
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: -36.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -399.306727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.306727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.306727 (E_RNA)
where:
Base-Base interactions energy: -287.448
where: short stacking energy: -118.449
Base-Backbone interact. energy: -0.398
local terms energy: -111.460866
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -31.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -387.281773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.281773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.281773 (E_RNA)
where:
Base-Base interactions energy: -282.177
where: short stacking energy: -117.261
Base-Backbone interact. energy: -0.632
local terms energy: -104.473643
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -14.702
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: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -381.001958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.001958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.001958 (E_RNA)
where:
Base-Base interactions energy: -269.819
where: short stacking energy: -110.287
Base-Backbone interact. energy: -0.158
local terms energy: -111.024965
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -32.734
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: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -121.309574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.309574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.309574 (E_RNA)
where:
Base-Base interactions energy: -45.260
where: short stacking energy: -34.391
Base-Backbone interact. energy: -0.165
local terms energy: -75.884070
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -8.994
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: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -115.249568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.249568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.249568 (E_RNA)
where:
Base-Base interactions energy: -44.671
where: short stacking energy: -43.855
Base-Backbone interact. energy: -0.182
local terms energy: -70.397148
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -127.074058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.074058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.074058 (E_RNA)
where:
Base-Base interactions energy: -41.802
where: short stacking energy: -36.714
Base-Backbone interact. energy: 0.496
local terms energy: -85.767443
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -7.700
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: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -418.545347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.545347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.545347 (E_RNA)
where:
Base-Base interactions energy: -301.831
where: short stacking energy: -125.775
Base-Backbone interact. energy: 0.310
local terms energy: -117.024193
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -35.675
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: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -416.483239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.483239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.483239 (E_RNA)
where:
Base-Base interactions energy: -296.103
where: short stacking energy: -118.256
Base-Backbone interact. energy: -0.010
local terms energy: -120.370273
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -19.057
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: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -411.492377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.492377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.492377 (E_RNA)
where:
Base-Base interactions energy: -290.194
where: short stacking energy: -119.615
Base-Backbone interact. energy: -0.197
local terms energy: -121.101069
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -35.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -401.504928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.504928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.504928 (E_RNA)
where:
Base-Base interactions energy: -296.423
where: short stacking energy: -116.587
Base-Backbone interact. energy: -0.126
local terms energy: -104.956681
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -35.089
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: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -395.858136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.858136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.858136 (E_RNA)
where:
Base-Base interactions energy: -279.644
where: short stacking energy: -110.054
Base-Backbone interact. energy: -0.033
local terms energy: -116.180334
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -35.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -400.519813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.519813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.519813 (E_RNA)
where:
Base-Base interactions energy: -283.841
where: short stacking energy: -116.236
Base-Backbone interact. energy: -0.008
local terms energy: -116.671446
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -34.606
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: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -394.899240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.899240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.899240 (E_RNA)
where:
Base-Base interactions energy: -284.142
where: short stacking energy: -113.991
Base-Backbone interact. energy: -0.002
local terms energy: -110.755138
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -32.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -115.745488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.745488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.745488 (E_RNA)
where:
Base-Base interactions energy: -45.121
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.202
local terms energy: -70.422049
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -0.003
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: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -112.046002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.046002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.046002 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -32.697
Base-Backbone interact. energy: 1.274
local terms energy: -78.626093
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -108.471151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.471151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.471151 (E_RNA)
where:
Base-Base interactions energy: -43.257
where: short stacking energy: -41.519
Base-Backbone interact. energy: 1.181
local terms energy: -66.394849
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: 1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -421.527873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.527873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.527873 (E_RNA)
where:
Base-Base interactions energy: -301.707
where: short stacking energy: -122.318
Base-Backbone interact. energy: -0.001
local terms energy: -119.819618
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -35.718
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: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -420.816014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.816014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.816014 (E_RNA)
where:
Base-Base interactions energy: -294.778
where: short stacking energy: -121.560
Base-Backbone interact. energy: -0.577
local terms energy: -125.461138
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -35.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -408.580360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.580360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.580360 (E_RNA)
where:
Base-Base interactions energy: -289.837
where: short stacking energy: -118.961
Base-Backbone interact. energy: -0.053
local terms energy: -118.690999
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -35.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -401.243268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.243268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.243268 (E_RNA)
where:
Base-Base interactions energy: -277.982
where: short stacking energy: -115.589
Base-Backbone interact. energy: -0.315
local terms energy: -122.946190
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -35.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -401.999741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.999741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.999741 (E_RNA)
where:
Base-Base interactions energy: -288.831
where: short stacking energy: -119.775
Base-Backbone interact. energy: 0.696
local terms energy: -113.865496
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -34.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -389.647824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.647824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.647824 (E_RNA)
where:
Base-Base interactions energy: -278.424
where: short stacking energy: -117.198
Base-Backbone interact. energy: -0.165
local terms energy: -111.058821
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -36.303
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: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -389.259879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.259879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.259879 (E_RNA)
where:
Base-Base interactions energy: -276.772
where: short stacking energy: -113.971
Base-Backbone interact. energy: -0.071
local terms energy: -112.416897
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -15.666
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: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -106.277184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.277184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.277184 (E_RNA)
where:
Base-Base interactions energy: -35.358
where: short stacking energy: -35.358
Base-Backbone interact. energy: -1.582
local terms energy: -69.336851
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -103.296353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.296353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.296353 (E_RNA)
where:
Base-Base interactions energy: -41.774
where: short stacking energy: -25.787
Base-Backbone interact. energy: -0.577
local terms energy: -60.944690
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -12.694
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -112.301737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.301737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.301737 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -41.139
Base-Backbone interact. energy: 2.205
local terms energy: -72.656854
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -421.360755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.360755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.360755 (E_RNA)
where:
Base-Base interactions energy: -299.785
where: short stacking energy: -121.463
Base-Backbone interact. energy: -0.168
local terms energy: -121.408342
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -34.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -410.901743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.901743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.901743 (E_RNA)
where:
Base-Base interactions energy: -287.345
where: short stacking energy: -121.413
Base-Backbone interact. energy: -0.001
local terms energy: -123.555460
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -405.334057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.334057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.334057 (E_RNA)
where:
Base-Base interactions energy: -292.066
where: short stacking energy: -123.876
Base-Backbone interact. energy: -0.001
local terms energy: -113.267418
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -38.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -405.104849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.104849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.104849 (E_RNA)
where:
Base-Base interactions energy: -291.053
where: short stacking energy: -116.707
Base-Backbone interact. energy: -0.013
local terms energy: -114.038557
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -35.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -409.054770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.054770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.054770 (E_RNA)
where:
Base-Base interactions energy: -292.551
where: short stacking energy: -122.464
Base-Backbone interact. energy: -0.046
local terms energy: -116.458058
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -34.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -394.351197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.351197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.351197 (E_RNA)
where:
Base-Base interactions energy: -285.518
where: short stacking energy: -117.637
Base-Backbone interact. energy: -0.384
local terms energy: -108.448570
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -33.220
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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -386.235743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.235743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.235743 (E_RNA)
where:
Base-Base interactions energy: -281.436
where: short stacking energy: -112.241
Base-Backbone interact. energy: 0.283
local terms energy: -105.082363
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -31.808
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: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -129.854208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.854208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.854208 (E_RNA)
where:
Base-Base interactions energy: -56.583
where: short stacking energy: -46.182
Base-Backbone interact. energy: 0.526
local terms energy: -73.797159
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -114.361503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.361503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.361503 (E_RNA)
where:
Base-Base interactions energy: -49.204
where: short stacking energy: -35.889
Base-Backbone interact. energy: -1.095
local terms energy: -64.062606
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -110.309270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.309270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.309270 (E_RNA)
where:
Base-Base interactions energy: -43.991
where: short stacking energy: -26.029
Base-Backbone interact. energy: -0.381
local terms energy: -65.937727
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -3.464
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: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -421.846869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.846869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.846869 (E_RNA)
where:
Base-Base interactions energy: -298.700
where: short stacking energy: -121.106
Base-Backbone interact. energy: -0.016
local terms energy: -123.131397
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -19.098
tors. eta vs tors. theta energy: -34.831
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: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -417.738738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.738738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.738738 (E_RNA)
where:
Base-Base interactions energy: -293.716
where: short stacking energy: -127.917
Base-Backbone interact. energy: -0.001
local terms energy: -124.021755
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -37.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -412.336278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.336278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.336278 (E_RNA)
where:
Base-Base interactions energy: -291.479
where: short stacking energy: -116.985
Base-Backbone interact. energy: -0.004
local terms energy: -120.853400
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -33.152
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: 142
Temperature: 1.050000
Total energy: -402.516753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.516753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.516753 (E_RNA)
where:
Base-Base interactions energy: -285.222
where: short stacking energy: -116.927
Base-Backbone interact. energy: -0.002
local terms energy: -117.292303
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -34.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -401.173782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.173782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.173782 (E_RNA)
where:
Base-Base interactions energy: -283.625
where: short stacking energy: -119.830
Base-Backbone interact. energy: -0.011
local terms energy: -117.538204
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -34.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -405.575537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.575537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.575537 (E_RNA)
where:
Base-Base interactions energy: -291.523
where: short stacking energy: -120.925
Base-Backbone interact. energy: 0.752
local terms energy: -114.805113
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -34.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -383.786002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.786002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.786002 (E_RNA)
where:
Base-Base interactions energy: -280.049
where: short stacking energy: -111.727
Base-Backbone interact. energy: -0.096
local terms energy: -103.641292
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -34.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -111.794492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.794492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.794492 (E_RNA)
where:
Base-Base interactions energy: -31.272
where: short stacking energy: -22.650
Base-Backbone interact. energy: -0.250
local terms energy: -80.273090
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -110.674736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.674736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.674736 (E_RNA)
where:
Base-Base interactions energy: -49.123
where: short stacking energy: -48.335
Base-Backbone interact. energy: -0.367
local terms energy: -61.184955
where:
bonds (distance) C4'-P energy: -8.677
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -106.237905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.237905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.237905 (E_RNA)
where:
Base-Base interactions energy: -46.714
where: short stacking energy: -29.807
Base-Backbone interact. energy: 0.228
local terms energy: -59.752240
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -0.573
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: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -424.005391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.005391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.005391 (E_RNA)
where:
Base-Base interactions energy: -299.811
where: short stacking energy: -121.204
Base-Backbone interact. energy: -0.004
local terms energy: -124.190525
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -34.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -418.449612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.449612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.449612 (E_RNA)
where:
Base-Base interactions energy: -294.939
where: short stacking energy: -117.631
Base-Backbone interact. energy: -0.415
local terms energy: -123.095535
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -37.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -411.640940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.640940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.640940 (E_RNA)
where:
Base-Base interactions energy: -300.025
where: short stacking energy: -121.681
Base-Backbone interact. energy: 0.448
local terms energy: -112.064146
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -32.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -407.323630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.323630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.323630 (E_RNA)
where:
Base-Base interactions energy: -287.071
where: short stacking energy: -116.643
Base-Backbone interact. energy: -0.003
local terms energy: -120.250540
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -34.496
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: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -402.272526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.272526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.272526 (E_RNA)
where:
Base-Base interactions energy: -281.608
where: short stacking energy: -111.049
Base-Backbone interact. energy: -0.069
local terms energy: -120.595184
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -22.382
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -33.869
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: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -389.271840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.271840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.271840 (E_RNA)
where:
Base-Base interactions energy: -283.269
where: short stacking energy: -117.726
Base-Backbone interact. energy: -0.096
local terms energy: -105.906822
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -30.703
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: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -381.006312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.006312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.006312 (E_RNA)
where:
Base-Base interactions energy: -270.962
where: short stacking energy: -115.493
Base-Backbone interact. energy: -0.086
local terms energy: -109.957486
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -31.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -115.962247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.962247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.962247 (E_RNA)
where:
Base-Base interactions energy: -50.785
where: short stacking energy: -32.117
Base-Backbone interact. energy: -1.192
local terms energy: -63.985540
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -1.002
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: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -114.528779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.528779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.528779 (E_RNA)
where:
Base-Base interactions energy: -39.399
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.899
local terms energy: -74.231027
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -111.580998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.580998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.580998 (E_RNA)
where:
Base-Base interactions energy: -47.604
where: short stacking energy: -41.182
Base-Backbone interact. energy: -0.426
local terms energy: -63.551089
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -422.403708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.403708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.403708 (E_RNA)
where:
Base-Base interactions energy: -293.007
where: short stacking energy: -122.237
Base-Backbone interact. energy: -0.609
local terms energy: -128.787647
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -38.270
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: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -418.166934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.166934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.166934 (E_RNA)
where:
Base-Base interactions energy: -299.248
where: short stacking energy: -121.499
Base-Backbone interact. energy: -0.124
local terms energy: -118.794391
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -37.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -412.892115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.892115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.892115 (E_RNA)
where:
Base-Base interactions energy: -288.666
where: short stacking energy: -115.404
Base-Backbone interact. energy: -0.010
local terms energy: -124.215600
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -15.430
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: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -402.942098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.942098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.942098 (E_RNA)
where:
Base-Base interactions energy: -283.330
where: short stacking energy: -117.586
Base-Backbone interact. energy: -0.044
local terms energy: -119.567611
where:
bonds (distance) C4'-P energy: -24.008
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -32.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -411.097198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.097198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.097198 (E_RNA)
where:
Base-Base interactions energy: -294.474
where: short stacking energy: -118.436
Base-Backbone interact. energy: -0.096
local terms energy: -116.526385
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -396.502749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.502749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.502749 (E_RNA)
where:
Base-Base interactions energy: -283.693
where: short stacking energy: -114.635
Base-Backbone interact. energy: -0.086
local terms energy: -112.723205
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -32.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -381.649629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.649629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.649629 (E_RNA)
where:
Base-Base interactions energy: -274.810
where: short stacking energy: -107.928
Base-Backbone interact. energy: -0.533
local terms energy: -106.306966
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -33.855
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: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -128.104250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.104250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.104250 (E_RNA)
where:
Base-Base interactions energy: -66.740
where: short stacking energy: -43.013
Base-Backbone interact. energy: -0.586
local terms energy: -60.777993
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: 0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -119.923425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.923425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.923425 (E_RNA)
where:
Base-Base interactions energy: -53.913
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.233
local terms energy: -65.777246
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -102.964946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.964946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.964946 (E_RNA)
where:
Base-Base interactions energy: -44.456
where: short stacking energy: -31.198
Base-Backbone interact. energy: -0.689
local terms energy: -57.820438
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: 2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -424.516970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.516970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.516970 (E_RNA)
where:
Base-Base interactions energy: -301.138
where: short stacking energy: -123.526
Base-Backbone interact. energy: -0.238
local terms energy: -123.140713
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -36.280
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: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -411.939376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.939376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.939376 (E_RNA)
where:
Base-Base interactions energy: -294.361
where: short stacking energy: -119.685
Base-Backbone interact. energy: -0.157
local terms energy: -117.421008
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -35.389
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: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -411.153194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.153194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.153194 (E_RNA)
where:
Base-Base interactions energy: -282.829
where: short stacking energy: -116.697
Base-Backbone interact. energy: -0.576
local terms energy: -127.748076
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -38.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -404.272482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.272482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.272482 (E_RNA)
where:
Base-Base interactions energy: -285.939
where: short stacking energy: -120.454
Base-Backbone interact. energy: -0.608
local terms energy: -117.725735
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -34.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -396.066940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.066940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.066940 (E_RNA)
where:
Base-Base interactions energy: -280.478
where: short stacking energy: -114.821
Base-Backbone interact. energy: -0.309
local terms energy: -115.280057
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -33.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -394.570795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.570795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.570795 (E_RNA)
where:
Base-Base interactions energy: -281.687
where: short stacking energy: -115.960
Base-Backbone interact. energy: 0.240
local terms energy: -113.123092
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -32.864
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: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -387.325529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.325529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.325529 (E_RNA)
where:
Base-Base interactions energy: -276.632
where: short stacking energy: -113.636
Base-Backbone interact. energy: -0.008
local terms energy: -110.686416
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -33.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -111.163215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.163215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.163215 (E_RNA)
where:
Base-Base interactions energy: -43.887
where: short stacking energy: -32.026
Base-Backbone interact. energy: -0.178
local terms energy: -67.098858
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -117.862549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.862549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.862549 (E_RNA)
where:
Base-Base interactions energy: -53.645
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.336
local terms energy: -63.881384
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -8.018
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: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -119.679856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.679856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.679856 (E_RNA)
where:
Base-Base interactions energy: -46.738
where: short stacking energy: -31.321
Base-Backbone interact. energy: -0.388
local terms energy: -72.554397
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -423.380322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.380322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.380322 (E_RNA)
where:
Base-Base interactions energy: -301.448
where: short stacking energy: -123.507
Base-Backbone interact. energy: 0.766
local terms energy: -122.697916
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -36.580
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: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -420.202099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.202099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.202099 (E_RNA)
where:
Base-Base interactions energy: -293.705
where: short stacking energy: -118.523
Base-Backbone interact. energy: -0.012
local terms energy: -126.485476
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -24.068
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -36.356
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: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -397.268674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.268674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.268674 (E_RNA)
where:
Base-Base interactions energy: -288.052
where: short stacking energy: -117.086
Base-Backbone interact. energy: -0.253
local terms energy: -108.963576
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -32.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -407.253129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.253129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.253129 (E_RNA)
where:
Base-Base interactions energy: -296.884
where: short stacking energy: -122.255
Base-Backbone interact. energy: -0.066
local terms energy: -110.303744
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -35.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -404.954511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.954511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.954511 (E_RNA)
where:
Base-Base interactions energy: -284.359
where: short stacking energy: -113.538
Base-Backbone interact. energy: -0.573
local terms energy: -120.021888
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -18.103
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: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -396.529526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.529526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.529526 (E_RNA)
where:
Base-Base interactions energy: -289.505
where: short stacking energy: -119.498
Base-Backbone interact. energy: -0.589
local terms energy: -106.435368
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -17.895
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: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -382.549011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.549011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.549011 (E_RNA)
where:
Base-Base interactions energy: -269.163
where: short stacking energy: -103.285
Base-Backbone interact. energy: 0.905
local terms energy: -114.291435
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -30.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -123.695095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.695095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.695095 (E_RNA)
where:
Base-Base interactions energy: -53.446
where: short stacking energy: -48.792
Base-Backbone interact. energy: 0.978
local terms energy: -71.226568
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -115.871602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.871602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.871602 (E_RNA)
where:
Base-Base interactions energy: -50.434
where: short stacking energy: -27.639
Base-Backbone interact. energy: -0.760
local terms energy: -64.676980
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -1.318
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: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -107.297079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.297079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.297079 (E_RNA)
where:
Base-Base interactions energy: -51.386
where: short stacking energy: -34.260
Base-Backbone interact. energy: 0.301
local terms energy: -56.212354
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: 2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -422.857129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.857129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.857129 (E_RNA)
where:
Base-Base interactions energy: -298.206
where: short stacking energy: -122.116
Base-Backbone interact. energy: -0.001
local terms energy: -124.650108
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -37.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -411.609458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.609458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.609458 (E_RNA)
where:
Base-Base interactions energy: -287.779
where: short stacking energy: -116.248
Base-Backbone interact. energy: -0.000
local terms energy: -123.829721
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -36.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -415.256422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.256422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.256422 (E_RNA)
where:
Base-Base interactions energy: -297.071
where: short stacking energy: -118.082
Base-Backbone interact. energy: -0.052
local terms energy: -118.133015
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -34.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -405.000447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.000447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.000447 (E_RNA)
where:
Base-Base interactions energy: -289.806
where: short stacking energy: -117.544
Base-Backbone interact. energy: -0.217
local terms energy: -114.977400
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -19.582
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: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -406.435165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.435165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.435165 (E_RNA)
where:
Base-Base interactions energy: -293.581
where: short stacking energy: -120.154
Base-Backbone interact. energy: -0.343
local terms energy: -112.511377
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -35.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -384.952559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.952559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.952559 (E_RNA)
where:
Base-Base interactions energy: -277.867
where: short stacking energy: -112.997
Base-Backbone interact. energy: -0.172
local terms energy: -106.913992
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -30.890
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -397.162417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.162417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.162417 (E_RNA)
where:
Base-Base interactions energy: -286.571
where: short stacking energy: -114.290
Base-Backbone interact. energy: -0.240
local terms energy: -110.351416
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -35.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -123.941892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.941892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.941892 (E_RNA)
where:
Base-Base interactions energy: -56.550
where: short stacking energy: -26.580
Base-Backbone interact. energy: -0.356
local terms energy: -67.036682
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -131.202832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.202832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.202832 (E_RNA)
where:
Base-Base interactions energy: -57.941
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.245
local terms energy: -73.016585
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -103.561038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.561038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.561038 (E_RNA)
where:
Base-Base interactions energy: -25.600
where: short stacking energy: -24.117
Base-Backbone interact. energy: -0.383
local terms energy: -77.577671
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -416.637655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.637655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.637655 (E_RNA)
where:
Base-Base interactions energy: -290.840
where: short stacking energy: -117.049
Base-Backbone interact. energy: -0.691
local terms energy: -125.106719
where:
bonds (distance) C4'-P energy: -22.700
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -34.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -423.822032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.822032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.822032 (E_RNA)
where:
Base-Base interactions energy: -302.610
where: short stacking energy: -122.844
Base-Backbone interact. energy: -0.003
local terms energy: -121.208821
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -37.425
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: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -412.580428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.580428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.580428 (E_RNA)
where:
Base-Base interactions energy: -300.525
where: short stacking energy: -125.870
Base-Backbone interact. energy: -0.002
local terms energy: -112.052848
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -36.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -401.975868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.975868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.975868 (E_RNA)
where:
Base-Base interactions energy: -282.095
where: short stacking energy: -114.432
Base-Backbone interact. energy: -0.003
local terms energy: -119.877697
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -35.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -394.649884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.649884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.649884 (E_RNA)
where:
Base-Base interactions energy: -283.599
where: short stacking energy: -117.941
Base-Backbone interact. energy: -0.443
local terms energy: -110.607391
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -34.172
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: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -397.827843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.827843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.827843 (E_RNA)
where:
Base-Base interactions energy: -282.031
where: short stacking energy: -115.740
Base-Backbone interact. energy: -0.575
local terms energy: -115.222012
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -36.923
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: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -392.731360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.731360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.731360 (E_RNA)
where:
Base-Base interactions energy: -273.292
where: short stacking energy: -111.979
Base-Backbone interact. energy: -0.174
local terms energy: -119.265187
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -32.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -121.088529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.088529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.088529 (E_RNA)
where:
Base-Base interactions energy: -40.329
where: short stacking energy: -40.329
Base-Backbone interact. energy: -0.211
local terms energy: -80.547676
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -1.452
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: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -154.036318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.036318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.036318 (E_RNA)
where:
Base-Base interactions energy: -80.232
where: short stacking energy: -48.246
Base-Backbone interact. energy: -0.526
local terms energy: -73.278547
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -109.161204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.161204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.161204 (E_RNA)
where:
Base-Base interactions energy: -36.200
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.352
local terms energy: -72.609651
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -13.133
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: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -419.489563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.489563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.489563 (E_RNA)
where:
Base-Base interactions energy: -294.161
where: short stacking energy: -120.191
Base-Backbone interact. energy: -0.918
local terms energy: -124.410860
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -417.766425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.766425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.766425 (E_RNA)
where:
Base-Base interactions energy: -289.981
where: short stacking energy: -120.016
Base-Backbone interact. energy: -0.004
local terms energy: -127.781281
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -37.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -404.761352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.761352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.761352 (E_RNA)
where:
Base-Base interactions energy: -288.602
where: short stacking energy: -118.309
Base-Backbone interact. energy: -0.004
local terms energy: -116.154729
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -34.635
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: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -405.414762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.414762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.414762 (E_RNA)
where:
Base-Base interactions energy: -285.009
where: short stacking energy: -115.154
Base-Backbone interact. energy: -0.880
local terms energy: -119.525468
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -35.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -393.682494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.682494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.682494 (E_RNA)
where:
Base-Base interactions energy: -276.479
where: short stacking energy: -107.775
Base-Backbone interact. energy: -0.193
local terms energy: -117.010517
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -33.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -401.531310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.531310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.531310 (E_RNA)
where:
Base-Base interactions energy: -288.837
where: short stacking energy: -124.301
Base-Backbone interact. energy: -0.189
local terms energy: -112.504999
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -37.692
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: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -375.129169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.129169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.129169 (E_RNA)
where:
Base-Base interactions energy: -271.517
where: short stacking energy: -109.243
Base-Backbone interact. energy: -0.266
local terms energy: -103.346801
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -31.832
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: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -111.041962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.041962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.041962 (E_RNA)
where:
Base-Base interactions energy: -32.603
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.570
local terms energy: -77.868642
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -12.533
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: 9, replica: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -106.875691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.875691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.875691 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -27.547
Base-Backbone interact. energy: 0.404
local terms energy: -71.085940
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -0.738
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: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -109.124194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.124194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.124194 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -31.028
Base-Backbone interact. energy: -0.259
local terms energy: -76.004476
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -416.888283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.888283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.888283 (E_RNA)
where:
Base-Base interactions energy: -292.186
where: short stacking energy: -122.249
Base-Backbone interact. energy: -0.045
local terms energy: -124.656716
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -35.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -414.924452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.924452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.924452 (E_RNA)
where:
Base-Base interactions energy: -290.430
where: short stacking energy: -119.282
Base-Backbone interact. energy: -0.791
local terms energy: -123.704106
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -35.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -413.841166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.841166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.841166 (E_RNA)
where:
Base-Base interactions energy: -295.951
where: short stacking energy: -115.211
Base-Backbone interact. energy: -0.578
local terms energy: -117.311895
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -35.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -400.327297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.327297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.327297 (E_RNA)
where:
Base-Base interactions energy: -281.276
where: short stacking energy: -117.032
Base-Backbone interact. energy: -0.010
local terms energy: -119.041934
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -36.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -395.194733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.194733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.194733 (E_RNA)
where:
Base-Base interactions energy: -277.709
where: short stacking energy: -114.701
Base-Backbone interact. energy: -0.151
local terms energy: -117.334907
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -33.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -411.022589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.022589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.022589 (E_RNA)
where:
Base-Base interactions energy: -293.569
where: short stacking energy: -120.970
Base-Backbone interact. energy: -0.042
local terms energy: -117.410811
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -37.078
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: 150
Temperature: 1.200000
Total energy: -380.696073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.696073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.696073 (E_RNA)
where:
Base-Base interactions energy: -278.428
where: short stacking energy: -111.863
Base-Backbone interact. energy: -0.494
local terms energy: -101.774541
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -34.851
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: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -118.025318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.025318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.025318 (E_RNA)
where:
Base-Base interactions energy: -46.217
where: short stacking energy: -37.475
Base-Backbone interact. energy: -0.111
local terms energy: -71.697349
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -4.640
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: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -118.227780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.227780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.227780 (E_RNA)
where:
Base-Base interactions energy: -47.598
where: short stacking energy: -44.783
Base-Backbone interact. energy: -0.168
local terms energy: -70.462098
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -111.941371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.941371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.941371 (E_RNA)
where:
Base-Base interactions energy: -37.077
where: short stacking energy: -36.376
Base-Backbone interact. energy: -0.230
local terms energy: -74.634430
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -413.818351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.818351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.818351 (E_RNA)
where:
Base-Base interactions energy: -289.955
where: short stacking energy: -119.052
Base-Backbone interact. energy: -0.574
local terms energy: -123.290004
where:
bonds (distance) C4'-P energy: -24.392
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -35.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -412.282106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.282106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.282106 (E_RNA)
where:
Base-Base interactions energy: -293.092
where: short stacking energy: -119.382
Base-Backbone interact. energy: -0.402
local terms energy: -118.788348
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -35.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -417.148389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.148389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.148389 (E_RNA)
where:
Base-Base interactions energy: -295.200
where: short stacking energy: -123.181
Base-Backbone interact. energy: -0.412
local terms energy: -121.536320
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -24.469
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -35.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -404.336954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.336954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.336954 (E_RNA)
where:
Base-Base interactions energy: -292.207
where: short stacking energy: -122.056
Base-Backbone interact. energy: -0.022
local terms energy: -112.107719
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -34.037
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: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -399.839667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.839667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.839667 (E_RNA)
where:
Base-Base interactions energy: -279.882
where: short stacking energy: -110.970
Base-Backbone interact. energy: -0.800
local terms energy: -119.157719
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -34.691
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: 151
Temperature: 1.150000
Total energy: -398.478725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.478725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.478725 (E_RNA)
where:
Base-Base interactions energy: -282.665
where: short stacking energy: -117.564
Base-Backbone interact. energy: -0.010
local terms energy: -115.803705
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -13.918
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -381.803472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.803472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.803472 (E_RNA)
where:
Base-Base interactions energy: -281.956
where: short stacking energy: -117.783
Base-Backbone interact. energy: -0.008
local terms energy: -99.840253
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -32.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -146.713080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.713080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.713080 (E_RNA)
where:
Base-Base interactions energy: -80.685
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.651
local terms energy: -65.376933
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: 2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -139.318294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.318294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.318294 (E_RNA)
where:
Base-Base interactions energy: -64.448
where: short stacking energy: -44.935
Base-Backbone interact. energy: 3.624
local terms energy: -78.494258
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -118.895750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.895750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.895750 (E_RNA)
where:
Base-Base interactions energy: -56.034
where: short stacking energy: -30.918
Base-Backbone interact. energy: -0.028
local terms energy: -62.833173
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -2.414
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: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -424.538081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.538081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.538081 (E_RNA)
where:
Base-Base interactions energy: -298.928
where: short stacking energy: -126.138
Base-Backbone interact. energy: -0.000
local terms energy: -125.610264
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -37.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -412.461492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.461492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.461492 (E_RNA)
where:
Base-Base interactions energy: -294.134
where: short stacking energy: -121.107
Base-Backbone interact. energy: -0.025
local terms energy: -118.302572
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -32.675
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: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -406.518065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.518065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.518065 (E_RNA)
where:
Base-Base interactions energy: -289.833
where: short stacking energy: -123.083
Base-Backbone interact. energy: -0.010
local terms energy: -116.675440
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -34.057
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: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -408.439297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.439297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.439297 (E_RNA)
where:
Base-Base interactions energy: -289.739
where: short stacking energy: -120.388
Base-Backbone interact. energy: -0.071
local terms energy: -118.629772
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -25.212
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -34.563
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: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -393.570105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.570105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.570105 (E_RNA)
where:
Base-Base interactions energy: -274.134
where: short stacking energy: -111.948
Base-Backbone interact. energy: -0.011
local terms energy: -119.425372
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -31.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -378.840535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.840535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.840535 (E_RNA)
where:
Base-Base interactions energy: -271.644
where: short stacking energy: -106.426
Base-Backbone interact. energy: -0.203
local terms energy: -106.993819
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -31.315
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: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -377.263392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.263392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.263392 (E_RNA)
where:
Base-Base interactions energy: -272.666
where: short stacking energy: -112.399
Base-Backbone interact. energy: -0.167
local terms energy: -104.429684
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -32.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -113.658050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.658050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.658050 (E_RNA)
where:
Base-Base interactions energy: -40.824
where: short stacking energy: -33.261
Base-Backbone interact. energy: -0.498
local terms energy: -72.335407
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -106.737282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.737282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.737282 (E_RNA)
where:
Base-Base interactions energy: -30.389
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.880
local terms energy: -75.467851
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: 1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -101.083346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.083346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.083346 (E_RNA)
where:
Base-Base interactions energy: -40.578
where: short stacking energy: -16.923
Base-Backbone interact. energy: 1.123
local terms energy: -61.628841
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: 6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -417.413540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.413540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.413540 (E_RNA)
where:
Base-Base interactions energy: -299.875
where: short stacking energy: -125.770
Base-Backbone interact. energy: 0.013
local terms energy: -117.551654
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -36.877
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: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -411.588294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.588294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.588294 (E_RNA)
where:
Base-Base interactions energy: -292.065
where: short stacking energy: -121.256
Base-Backbone interact. energy: -0.030
local terms energy: -119.493397
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -35.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -414.780265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.780265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.780265 (E_RNA)
where:
Base-Base interactions energy: -297.892
where: short stacking energy: -121.287
Base-Backbone interact. energy: -0.412
local terms energy: -116.476561
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -36.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -414.017315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.017315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.017315 (E_RNA)
where:
Base-Base interactions energy: -292.393
where: short stacking energy: -114.867
Base-Backbone interact. energy: -0.192
local terms energy: -121.432061
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -27.298
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -34.271
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: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -399.877564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.877564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.877564 (E_RNA)
where:
Base-Base interactions energy: -276.559
where: short stacking energy: -110.982
Base-Backbone interact. energy: 0.250
local terms energy: -123.568027
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -36.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -370.129113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.129113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.129113 (E_RNA)
where:
Base-Base interactions energy: -263.301
where: short stacking energy: -105.554
Base-Backbone interact. energy: -0.025
local terms energy: -106.803541
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -30.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -382.249303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.249303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.249303 (E_RNA)
where:
Base-Base interactions energy: -269.947
where: short stacking energy: -107.204
Base-Backbone interact. energy: -0.008
local terms energy: -112.294103
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -30.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -110.196432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.196432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.196432 (E_RNA)
where:
Base-Base interactions energy: -37.714
where: short stacking energy: -30.058
Base-Backbone interact. energy: -0.092
local terms energy: -72.389781
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -112.010195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.010195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.010195 (E_RNA)
where:
Base-Base interactions energy: -44.148
where: short stacking energy: -38.783
Base-Backbone interact. energy: 0.183
local terms energy: -68.045596
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -102.561237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.561237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.561237 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -24.470
Base-Backbone interact. energy: -0.664
local terms energy: -69.843042
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: 1.579
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: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -421.044947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.044947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.044947 (E_RNA)
where:
Base-Base interactions energy: -300.349
where: short stacking energy: -120.766
Base-Backbone interact. energy: -0.613
local terms energy: -120.082299
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -36.462
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: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -422.970037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.970037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.970037 (E_RNA)
where:
Base-Base interactions energy: -302.272
where: short stacking energy: -127.646
Base-Backbone interact. energy: -0.004
local terms energy: -120.694716
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -37.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -409.420461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.420461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.420461 (E_RNA)
where:
Base-Base interactions energy: -295.496
where: short stacking energy: -118.534
Base-Backbone interact. energy: 0.008
local terms energy: -113.931549
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -34.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -404.495885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.495885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.495885 (E_RNA)
where:
Base-Base interactions energy: -289.078
where: short stacking energy: -116.971
Base-Backbone interact. energy: -0.009
local terms energy: -115.408537
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -34.127
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: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -396.798839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.798839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.798839 (E_RNA)
where:
Base-Base interactions energy: -282.343
where: short stacking energy: -118.469
Base-Backbone interact. energy: -0.288
local terms energy: -114.167953
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -35.326
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: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -402.331243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.331243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.331243 (E_RNA)
where:
Base-Base interactions energy: -293.796
where: short stacking energy: -120.040
Base-Backbone interact. energy: -0.631
local terms energy: -107.904407
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -37.524
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: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -387.604352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.604352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.604352 (E_RNA)
where:
Base-Base interactions energy: -283.497
where: short stacking energy: -118.289
Base-Backbone interact. energy: -0.533
local terms energy: -103.574442
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -33.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -111.683772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.683772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.683772 (E_RNA)
where:
Base-Base interactions energy: -40.765
where: short stacking energy: -38.974
Base-Backbone interact. energy: -0.289
local terms energy: -70.630317
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -4.489
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: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -113.549150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.549150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.549150 (E_RNA)
where:
Base-Base interactions energy: -40.791
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.136
local terms energy: -72.622113
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -105.747703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.747703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.747703 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -27.294
Base-Backbone interact. energy: 2.143
local terms energy: -69.863046
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -422.744434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.744434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.744434 (E_RNA)
where:
Base-Base interactions energy: -298.028
where: short stacking energy: -123.239
Base-Backbone interact. energy: -0.041
local terms energy: -124.674848
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -38.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -419.639676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.639676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.639676 (E_RNA)
where:
Base-Base interactions energy: -291.845
where: short stacking energy: -112.022
Base-Backbone interact. energy: -1.631
local terms energy: -126.163707
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -26.373
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -31.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -409.340499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.340499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.340499 (E_RNA)
where:
Base-Base interactions energy: -291.601
where: short stacking energy: -118.002
Base-Backbone interact. energy: -0.043
local terms energy: -117.696410
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -35.690
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: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -402.751157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.751157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.751157 (E_RNA)
where:
Base-Base interactions energy: -283.343
where: short stacking energy: -118.912
Base-Backbone interact. energy: -0.575
local terms energy: -118.832518
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -34.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -391.675251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.675251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.675251 (E_RNA)
where:
Base-Base interactions energy: -280.388
where: short stacking energy: -110.203
Base-Backbone interact. energy: 0.100
local terms energy: -111.387000
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -31.862
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: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -393.225695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.225695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.225695 (E_RNA)
where:
Base-Base interactions energy: -279.542
where: short stacking energy: -121.370
Base-Backbone interact. energy: -0.021
local terms energy: -113.663001
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -35.566
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: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -384.266606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.266606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.266606 (E_RNA)
where:
Base-Base interactions energy: -274.406
where: short stacking energy: -111.804
Base-Backbone interact. energy: -0.043
local terms energy: -109.817305
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -16.617
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: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -129.718912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.718912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.718912 (E_RNA)
where:
Base-Base interactions energy: -58.053
where: short stacking energy: -39.086
Base-Backbone interact. energy: 1.528
local terms energy: -73.194709
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: 0.776
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: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -114.599119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.599119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.599119 (E_RNA)
where:
Base-Base interactions energy: -51.123
where: short stacking energy: -42.859
Base-Backbone interact. energy: 0.490
local terms energy: -63.966938
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -97.120080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.120080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.120080 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -26.629
Base-Backbone interact. energy: -0.181
local terms energy: -56.274693
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -421.826958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.826958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.826958 (E_RNA)
where:
Base-Base interactions energy: -293.297
where: short stacking energy: -123.884
Base-Backbone interact. energy: -0.513
local terms energy: -128.016438
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -20.424
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: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -419.127184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.127184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.127184 (E_RNA)
where:
Base-Base interactions energy: -295.511
where: short stacking energy: -125.718
Base-Backbone interact. energy: -0.001
local terms energy: -123.615009
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -37.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -407.752016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.752016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.752016 (E_RNA)
where:
Base-Base interactions energy: -284.644
where: short stacking energy: -114.328
Base-Backbone interact. energy: -0.399
local terms energy: -122.709032
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -26.384
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -31.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -402.698609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.698609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.698609 (E_RNA)
where:
Base-Base interactions energy: -283.304
where: short stacking energy: -125.251
Base-Backbone interact. energy: -0.915
local terms energy: -118.479215
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -33.815
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: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -386.473406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.473406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.473406 (E_RNA)
where:
Base-Base interactions energy: -276.625
where: short stacking energy: -111.773
Base-Backbone interact. energy: -0.004
local terms energy: -109.844489
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -385.015740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.015740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.015740 (E_RNA)
where:
Base-Base interactions energy: -271.411
where: short stacking energy: -107.765
Base-Backbone interact. energy: -0.061
local terms energy: -113.543187
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -32.076
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: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -384.033923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.033923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.033923 (E_RNA)
where:
Base-Base interactions energy: -276.691
where: short stacking energy: -111.691
Base-Backbone interact. energy: -0.192
local terms energy: -107.150473
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -29.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -137.001381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.001381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.001381 (E_RNA)
where:
Base-Base interactions energy: -62.913
where: short stacking energy: -37.313
Base-Backbone interact. energy: -1.215
local terms energy: -72.873974
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -5.227
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: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -115.893157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.893157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.893157 (E_RNA)
where:
Base-Base interactions energy: -40.065
where: short stacking energy: -19.624
Base-Backbone interact. energy: -0.733
local terms energy: -75.095684
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -16.735
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -114.936925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.936925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.936925 (E_RNA)
where:
Base-Base interactions energy: -48.771
where: short stacking energy: -28.720
Base-Backbone interact. energy: -0.310
local terms energy: -65.856081
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -419.577779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.577779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.577779 (E_RNA)
where:
Base-Base interactions energy: -298.489
where: short stacking energy: -115.870
Base-Backbone interact. energy: -0.001
local terms energy: -121.087485
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: -35.571
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: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -413.733420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.733420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.733420 (E_RNA)
where:
Base-Base interactions energy: -292.809
where: short stacking energy: -119.879
Base-Backbone interact. energy: -0.021
local terms energy: -120.903619
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -34.402
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: 157
Temperature: 1.000000
Total energy: -412.538053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.538053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.538053 (E_RNA)
where:
Base-Base interactions energy: -290.576
where: short stacking energy: -115.997
Base-Backbone interact. energy: -0.307
local terms energy: -121.654399
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -37.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -406.223902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.223902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.223902 (E_RNA)
where:
Base-Base interactions energy: -290.428
where: short stacking energy: -121.417
Base-Backbone interact. energy: 0.219
local terms energy: -116.015060
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -33.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -398.123634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.123634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.123634 (E_RNA)
where:
Base-Base interactions energy: -286.511
where: short stacking energy: -115.269
Base-Backbone interact. energy: -0.552
local terms energy: -111.061354
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -30.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -396.874986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.874986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.874986 (E_RNA)
where:
Base-Base interactions energy: -279.842
where: short stacking energy: -115.847
Base-Backbone interact. energy: -0.149
local terms energy: -116.884406
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -34.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -396.982182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.982182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.982182 (E_RNA)
where:
Base-Base interactions energy: -278.427
where: short stacking energy: -117.352
Base-Backbone interact. energy: -0.215
local terms energy: -118.340575
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -35.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -121.967673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.967673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.967673 (E_RNA)
where:
Base-Base interactions energy: -41.963
where: short stacking energy: -43.182
Base-Backbone interact. energy: -1.170
local terms energy: -78.835318
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -115.453447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.453447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.453447 (E_RNA)
where:
Base-Base interactions energy: -39.475
where: short stacking energy: -31.375
Base-Backbone interact. energy: -0.344
local terms energy: -75.634237
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -4.578
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: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -107.089368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.089368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.089368 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -18.280
Base-Backbone interact. energy: -1.439
local terms energy: -71.823553
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: 5.270
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: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -418.348564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.348564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.348564 (E_RNA)
where:
Base-Base interactions energy: -296.267
where: short stacking energy: -121.564
Base-Backbone interact. energy: -0.002
local terms energy: -122.080277
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -37.383
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: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -419.019422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.019422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.019422 (E_RNA)
where:
Base-Base interactions energy: -287.503
where: short stacking energy: -115.887
Base-Backbone interact. energy: 0.149
local terms energy: -131.665342
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -35.045
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: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -412.274236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.274236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.274236 (E_RNA)
where:
Base-Base interactions energy: -289.573
where: short stacking energy: -120.919
Base-Backbone interact. energy: -0.784
local terms energy: -121.917387
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -26.506
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -37.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -404.387338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.387338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.387338 (E_RNA)
where:
Base-Base interactions energy: -286.435
where: short stacking energy: -122.354
Base-Backbone interact. energy: 0.297
local terms energy: -118.249531
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -36.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -399.217774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.217774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.217774 (E_RNA)
where:
Base-Base interactions energy: -284.675
where: short stacking energy: -116.211
Base-Backbone interact. energy: -0.002
local terms energy: -114.541067
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -34.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -401.270505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.270505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.270505 (E_RNA)
where:
Base-Base interactions energy: -291.670
where: short stacking energy: -123.037
Base-Backbone interact. energy: -0.002
local terms energy: -109.598949
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -32.689
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: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -390.888090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.888090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.888090 (E_RNA)
where:
Base-Base interactions energy: -273.517
where: short stacking energy: -111.974
Base-Backbone interact. energy: -0.010
local terms energy: -117.361234
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -34.467
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: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -118.895315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.895315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.895315 (E_RNA)
where:
Base-Base interactions energy: -43.949
where: short stacking energy: -43.949
Base-Backbone interact. energy: -0.317
local terms energy: -74.629357
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -7.285
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: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -116.711885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.711885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.711885 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -37.319
Base-Backbone interact. energy: 0.560
local terms energy: -80.160081
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -5.872
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: 158
Temperature: 1.350000
Total energy: -120.900590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.900590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.900590 (E_RNA)
where:
Base-Base interactions energy: -54.289
where: short stacking energy: -33.221
Base-Backbone interact. energy: 0.031
local terms energy: -66.641880
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -417.668792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.668792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.668792 (E_RNA)
where:
Base-Base interactions energy: -295.153
where: short stacking energy: -125.781
Base-Backbone interact. energy: -0.000
local terms energy: -122.515269
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -36.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -417.789995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.789995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.789995 (E_RNA)
where:
Base-Base interactions energy: -297.272
where: short stacking energy: -118.634
Base-Backbone interact. energy: -0.006
local terms energy: -120.511797
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -36.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -405.544273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.544273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.544273 (E_RNA)
where:
Base-Base interactions energy: -282.821
where: short stacking energy: -110.872
Base-Backbone interact. energy: -0.530
local terms energy: -122.192553
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -33.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -408.935601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.935601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.935601 (E_RNA)
where:
Base-Base interactions energy: -293.773
where: short stacking energy: -118.605
Base-Backbone interact. energy: -1.011
local terms energy: -114.152106
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -37.942
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: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -406.624800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.624800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.624800 (E_RNA)
where:
Base-Base interactions energy: -285.675
where: short stacking energy: -117.471
Base-Backbone interact. energy: -0.000
local terms energy: -120.949854
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -34.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -394.341199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.341199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.341199 (E_RNA)
where:
Base-Base interactions energy: -282.273
where: short stacking energy: -111.006
Base-Backbone interact. energy: -0.081
local terms energy: -111.987765
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -35.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -389.693210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.693210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.693210 (E_RNA)
where:
Base-Base interactions energy: -277.415
where: short stacking energy: -107.893
Base-Backbone interact. energy: -0.044
local terms energy: -112.233436
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -34.397
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: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -112.383811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.383811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.383811 (E_RNA)
where:
Base-Base interactions energy: -45.344
where: short stacking energy: -38.059
Base-Backbone interact. energy: -0.183
local terms energy: -66.856705
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -5.227
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: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -122.643447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.643447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.643447 (E_RNA)
where:
Base-Base interactions energy: -52.753
where: short stacking energy: -48.836
Base-Backbone interact. energy: 0.675
local terms energy: -70.565428
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -15.849
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: 10, replica: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -106.108415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.108415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.108415 (E_RNA)
where:
Base-Base interactions energy: -38.082
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.432
local terms energy: -67.593954
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: 2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -422.457766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.457766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.457766 (E_RNA)
where:
Base-Base interactions energy: -304.290
where: short stacking energy: -123.226
Base-Backbone interact. energy: -0.158
local terms energy: -118.009631
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -38.362
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: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -412.295245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.295245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.295245 (E_RNA)
where:
Base-Base interactions energy: -295.280
where: short stacking energy: -127.116
Base-Backbone interact. energy: -0.075
local terms energy: -116.940118
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -37.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -412.480786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.480786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.480786 (E_RNA)
where:
Base-Base interactions energy: -292.892
where: short stacking energy: -118.850
Base-Backbone interact. energy: -0.342
local terms energy: -119.246043
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -36.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -398.827347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.827347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.827347 (E_RNA)
where:
Base-Base interactions energy: -277.183
where: short stacking energy: -113.228
Base-Backbone interact. energy: -0.008
local terms energy: -121.636348
where:
bonds (distance) C4'-P energy: -25.237
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -33.879
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: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -396.532116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.532116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.532116 (E_RNA)
where:
Base-Base interactions energy: -285.738
where: short stacking energy: -116.907
Base-Backbone interact. energy: -0.001
local terms energy: -110.793356
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -18.375
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -393.369378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.369378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.369378 (E_RNA)
where:
Base-Base interactions energy: -286.388
where: short stacking energy: -113.303
Base-Backbone interact. energy: -0.028
local terms energy: -106.953056
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -32.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -382.992562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.992562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.992562 (E_RNA)
where:
Base-Base interactions energy: -272.191
where: short stacking energy: -110.625
Base-Backbone interact. energy: 1.203
local terms energy: -112.004246
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -34.700
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: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -121.326949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.326949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.326949 (E_RNA)
where:
Base-Base interactions energy: -45.083
where: short stacking energy: -40.976
Base-Backbone interact. energy: -0.430
local terms energy: -75.813272
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -8.833
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: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -126.289395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.289395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.289395 (E_RNA)
where:
Base-Base interactions energy: -45.128
where: short stacking energy: -36.940
Base-Backbone interact. energy: -0.343
local terms energy: -80.818064
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -97.309040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.309040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.309040 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -26.688
Base-Backbone interact. energy: -0.915
local terms energy: -61.972655
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -11.273
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: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -425.666677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.666677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.666677 (E_RNA)
where:
Base-Base interactions energy: -302.832
where: short stacking energy: -126.580
Base-Backbone interact. energy: -0.280
local terms energy: -122.554476
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -20.331
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: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -420.996981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.996981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.996981 (E_RNA)
where:
Base-Base interactions energy: -298.691
where: short stacking energy: -123.223
Base-Backbone interact. energy: -0.001
local terms energy: -122.304274
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -36.915
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: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -406.541181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.541181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.541181 (E_RNA)
where:
Base-Base interactions energy: -296.712
where: short stacking energy: -121.852
Base-Backbone interact. energy: -0.001
local terms energy: -109.828253
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -34.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -405.427330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.427330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.427330 (E_RNA)
where:
Base-Base interactions energy: -288.306
where: short stacking energy: -115.834
Base-Backbone interact. energy: -0.692
local terms energy: -116.429629
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -33.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -405.923010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.923010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.923010 (E_RNA)
where:
Base-Base interactions energy: -293.710
where: short stacking energy: -118.430
Base-Backbone interact. energy: 0.678
local terms energy: -112.891132
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -33.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -389.648722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.648722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.648722 (E_RNA)
where:
Base-Base interactions energy: -285.036
where: short stacking energy: -114.525
Base-Backbone interact. energy: -0.895
local terms energy: -103.718221
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -32.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -360.298610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.298610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.298610 (E_RNA)
where:
Base-Base interactions energy: -252.787
where: short stacking energy: -100.619
Base-Backbone interact. energy: 0.469
local terms energy: -107.981010
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -26.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -129.605953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.605953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.605953 (E_RNA)
where:
Base-Base interactions energy: -43.302
where: short stacking energy: -38.749
Base-Backbone interact. energy: -1.616
local terms energy: -84.688399
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -13.258
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: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -120.247788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.247788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.247788 (E_RNA)
where:
Base-Base interactions energy: -56.323
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.711
local terms energy: -63.213956
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -2.373
tors. eta vs tors. theta energy: -1.573
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: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -106.934046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.934046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.934046 (E_RNA)
where:
Base-Base interactions energy: -39.870
where: short stacking energy: -26.022
Base-Backbone interact. energy: 0.073
local terms energy: -67.136386
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -422.607857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.607857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.607857 (E_RNA)
where:
Base-Base interactions energy: -300.136
where: short stacking energy: -121.720
Base-Backbone interact. energy: -0.007
local terms energy: -122.464574
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -34.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -420.764341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.764341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.764341 (E_RNA)
where:
Base-Base interactions energy: -297.175
where: short stacking energy: -121.502
Base-Backbone interact. energy: -0.156
local terms energy: -123.433003
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -35.408
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: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -416.257552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.257552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.257552 (E_RNA)
where:
Base-Base interactions energy: -292.888
where: short stacking energy: -121.626
Base-Backbone interact. energy: -0.007
local terms energy: -123.362016
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -37.423
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: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -407.808320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.808320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.808320 (E_RNA)
where:
Base-Base interactions energy: -294.803
where: short stacking energy: -119.105
Base-Backbone interact. energy: -0.283
local terms energy: -112.722645
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -31.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -402.199408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.199408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.199408 (E_RNA)
where:
Base-Base interactions energy: -283.615
where: short stacking energy: -112.788
Base-Backbone interact. energy: 0.878
local terms energy: -119.462399
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -18.486
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: 6, replica: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -398.407564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.407564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.407564 (E_RNA)
where:
Base-Base interactions energy: -281.872
where: short stacking energy: -116.259
Base-Backbone interact. energy: -0.001
local terms energy: -116.534811
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -36.395
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: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -398.304323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.304323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.304323 (E_RNA)
where:
Base-Base interactions energy: -284.659
where: short stacking energy: -115.281
Base-Backbone interact. energy: -0.082
local terms energy: -113.563736
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -31.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -108.144563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.144563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.144563 (E_RNA)
where:
Base-Base interactions energy: -50.809
where: short stacking energy: -33.546
Base-Backbone interact. energy: 0.330
local terms energy: -57.665423
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -121.400420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.400420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.400420 (E_RNA)
where:
Base-Base interactions energy: -50.457
where: short stacking energy: -37.201
Base-Backbone interact. energy: -2.786
local terms energy: -68.157341
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -101.606775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.606775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.606775 (E_RNA)
where:
Base-Base interactions energy: -27.019
where: short stacking energy: -26.843
Base-Backbone interact. energy: -0.511
local terms energy: -74.076858
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: 3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -414.837199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.837199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.837199 (E_RNA)
where:
Base-Base interactions energy: -292.052
where: short stacking energy: -117.516
Base-Backbone interact. energy: -0.181
local terms energy: -122.603928
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -36.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -410.093171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.093171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.093171 (E_RNA)
where:
Base-Base interactions energy: -294.163
where: short stacking energy: -123.279
Base-Backbone interact. energy: -0.123
local terms energy: -115.806872
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -35.121
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: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -413.257354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.257354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.257354 (E_RNA)
where:
Base-Base interactions energy: -290.404
where: short stacking energy: -117.907
Base-Backbone interact. energy: -0.014
local terms energy: -122.838774
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -36.265
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: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -409.074691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.074691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.074691 (E_RNA)
where:
Base-Base interactions energy: -282.955
where: short stacking energy: -116.751
Base-Backbone interact. energy: -0.100
local terms energy: -126.019217
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -33.437
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: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -397.622164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.622164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.622164 (E_RNA)
where:
Base-Base interactions energy: -284.344
where: short stacking energy: -115.836
Base-Backbone interact. energy: -0.124
local terms energy: -113.154047
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -32.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -393.682963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.682963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.682963 (E_RNA)
where:
Base-Base interactions energy: -276.345
where: short stacking energy: -115.430
Base-Backbone interact. energy: -0.212
local terms energy: -117.125869
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -36.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -395.258078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.258078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.258078 (E_RNA)
where:
Base-Base interactions energy: -282.346
where: short stacking energy: -116.634
Base-Backbone interact. energy: -1.384
local terms energy: -111.528266
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -36.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -118.012699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.012699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.012699 (E_RNA)
where:
Base-Base interactions energy: -45.908
where: short stacking energy: -32.447
Base-Backbone interact. energy: -0.305
local terms energy: -71.800348
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -1.496
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: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -134.300469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.300469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.300469 (E_RNA)
where:
Base-Base interactions energy: -63.151
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.396
local terms energy: -70.754124
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -103.030369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.030369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.030369 (E_RNA)
where:
Base-Base interactions energy: -40.229
where: short stacking energy: -39.045
Base-Backbone interact. energy: -0.065
local terms energy: -62.736433
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -422.253324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.253324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.253324 (E_RNA)
where:
Base-Base interactions energy: -294.528
where: short stacking energy: -119.948
Base-Backbone interact. energy: -0.001
local terms energy: -127.724884
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -37.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -413.871838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.871838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.871838 (E_RNA)
where:
Base-Base interactions energy: -297.363
where: short stacking energy: -122.452
Base-Backbone interact. energy: -0.102
local terms energy: -116.406341
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -35.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -411.828873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.828873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.828873 (E_RNA)
where:
Base-Base interactions energy: -291.688
where: short stacking energy: -117.224
Base-Backbone interact. energy: -0.000
local terms energy: -120.141062
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -36.260
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: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -405.293669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.293669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.293669 (E_RNA)
where:
Base-Base interactions energy: -288.685
where: short stacking energy: -117.956
Base-Backbone interact. energy: -0.004
local terms energy: -116.604022
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -36.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -400.017641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.017641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.017641 (E_RNA)
where:
Base-Base interactions energy: -285.850
where: short stacking energy: -118.117
Base-Backbone interact. energy: -0.247
local terms energy: -113.920529
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -34.660
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: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -385.867085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.867085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.867085 (E_RNA)
where:
Base-Base interactions energy: -273.405
where: short stacking energy: -107.527
Base-Backbone interact. energy: -0.040
local terms energy: -112.421232
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -31.033
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: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -390.882836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.882836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.882836 (E_RNA)
where:
Base-Base interactions energy: -273.969
where: short stacking energy: -110.341
Base-Backbone interact. energy: -0.288
local terms energy: -116.625317
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -31.887
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: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -134.938824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.938824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.938824 (E_RNA)
where:
Base-Base interactions energy: -61.258
where: short stacking energy: -41.760
Base-Backbone interact. energy: -1.270
local terms energy: -72.411453
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -131.383201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.383201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.383201 (E_RNA)
where:
Base-Base interactions energy: -66.225
where: short stacking energy: -38.601
Base-Backbone interact. energy: -0.353
local terms energy: -64.805115
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -99.175165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175165 (E_RNA)
where:
Base-Base interactions energy: -36.628
where: short stacking energy: -21.478
Base-Backbone interact. energy: 5.515
local terms energy: -68.062054
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: 4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -417.075679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.075679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.075679 (E_RNA)
where:
Base-Base interactions energy: -292.902
where: short stacking energy: -121.208
Base-Backbone interact. energy: -0.264
local terms energy: -123.910171
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -34.028
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: 165
Temperature: 0.950000
Total energy: -427.318756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.318756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.318756 (E_RNA)
where:
Base-Base interactions energy: -304.786
where: short stacking energy: -126.525
Base-Backbone interact. energy: -0.296
local terms energy: -122.236436
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -37.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -409.422019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.422019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.422019 (E_RNA)
where:
Base-Base interactions energy: -290.611
where: short stacking energy: -120.831
Base-Backbone interact. energy: -0.416
local terms energy: -118.394298
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -35.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -404.394579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.394579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.394579 (E_RNA)
where:
Base-Base interactions energy: -286.854
where: short stacking energy: -118.055
Base-Backbone interact. energy: -0.007
local terms energy: -117.533007
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -33.973
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: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -399.306805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.306805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.306805 (E_RNA)
where:
Base-Base interactions energy: -280.222
where: short stacking energy: -112.900
Base-Backbone interact. energy: -0.446
local terms energy: -118.638578
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -32.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -395.540023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.540023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.540023 (E_RNA)
where:
Base-Base interactions energy: -285.688
where: short stacking energy: -116.301
Base-Backbone interact. energy: -0.003
local terms energy: -109.849004
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -34.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -394.420580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.420580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.420580 (E_RNA)
where:
Base-Base interactions energy: -284.079
where: short stacking energy: -119.678
Base-Backbone interact. energy: 0.086
local terms energy: -110.427294
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -34.654
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: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -121.725710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.725710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.725710 (E_RNA)
where:
Base-Base interactions energy: -49.507
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.151
local terms energy: -72.067830
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -10.739
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: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -118.575764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.575764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.575764 (E_RNA)
where:
Base-Base interactions energy: -54.749
where: short stacking energy: -28.095
Base-Backbone interact. energy: -0.256
local terms energy: -63.571187
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -1.413
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: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -110.300801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.300801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.300801 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -30.872
Base-Backbone interact. energy: -0.411
local terms energy: -73.891083
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -424.246541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.246541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.246541 (E_RNA)
where:
Base-Base interactions energy: -305.948
where: short stacking energy: -132.994
Base-Backbone interact. energy: -0.001
local terms energy: -118.297336
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -38.378
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: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -418.480143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.480143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.480143 (E_RNA)
where:
Base-Base interactions energy: -294.646
where: short stacking energy: -119.603
Base-Backbone interact. energy: -0.019
local terms energy: -123.815426
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -35.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -409.883180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.883180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.883180 (E_RNA)
where:
Base-Base interactions energy: -290.482
where: short stacking energy: -117.881
Base-Backbone interact. energy: 2.008
local terms energy: -121.409664
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -36.840
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: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -410.939941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.939941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.939941 (E_RNA)
where:
Base-Base interactions energy: -291.538
where: short stacking energy: -120.766
Base-Backbone interact. energy: -0.003
local terms energy: -119.398418
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -32.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -401.571753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.571753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.571753 (E_RNA)
where:
Base-Base interactions energy: -282.125
where: short stacking energy: -120.324
Base-Backbone interact. energy: -0.002
local terms energy: -119.444961
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -38.112
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: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -383.645704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.645704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.645704 (E_RNA)
where:
Base-Base interactions energy: -283.082
where: short stacking energy: -117.574
Base-Backbone interact. energy: -0.005
local terms energy: -100.558634
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -32.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -388.890157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.890157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.890157 (E_RNA)
where:
Base-Base interactions energy: -277.355
where: short stacking energy: -119.845
Base-Backbone interact. energy: -0.001
local terms energy: -111.533945
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -34.131
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: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -130.000004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.000004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.000004 (E_RNA)
where:
Base-Base interactions energy: -54.155
where: short stacking energy: -36.324
Base-Backbone interact. energy: -0.842
local terms energy: -75.003780
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -115.802222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.802222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.802222 (E_RNA)
where:
Base-Base interactions energy: -52.479
where: short stacking energy: -48.636
Base-Backbone interact. energy: -0.125
local terms energy: -63.198819
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -5.129
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: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -111.592474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.592474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.592474 (E_RNA)
where:
Base-Base interactions energy: -42.871
where: short stacking energy: -42.364
Base-Backbone interact. energy: -0.226
local terms energy: -68.495305
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -6.414
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: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -422.814017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.814017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.814017 (E_RNA)
where:
Base-Base interactions energy: -295.418
where: short stacking energy: -120.395
Base-Backbone interact. energy: -0.008
local terms energy: -127.387487
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -18.133
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: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -410.079009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.079009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.079009 (E_RNA)
where:
Base-Base interactions energy: -289.960
where: short stacking energy: -125.890
Base-Backbone interact. energy: 0.372
local terms energy: -120.490601
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -35.743
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: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -408.084058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.084058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.084058 (E_RNA)
where:
Base-Base interactions energy: -290.145
where: short stacking energy: -114.984
Base-Backbone interact. energy: -0.552
local terms energy: -117.386517
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -33.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -411.870776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.870776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.870776 (E_RNA)
where:
Base-Base interactions energy: -295.404
where: short stacking energy: -120.447
Base-Backbone interact. energy: -0.669
local terms energy: -115.798433
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -35.205
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: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -404.692942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.692942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.692942 (E_RNA)
where:
Base-Base interactions energy: -285.585
where: short stacking energy: -113.828
Base-Backbone interact. energy: -1.079
local terms energy: -118.028472
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -33.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -391.363124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.363124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.363124 (E_RNA)
where:
Base-Base interactions energy: -286.660
where: short stacking energy: -112.064
Base-Backbone interact. energy: -0.000
local terms energy: -104.702149
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -32.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -383.323258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.323258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.323258 (E_RNA)
where:
Base-Base interactions energy: -266.783
where: short stacking energy: -105.072
Base-Backbone interact. energy: -0.109
local terms energy: -116.431424
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -34.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -120.103758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.103758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.103758 (E_RNA)
where:
Base-Base interactions energy: -49.950
where: short stacking energy: -46.354
Base-Backbone interact. energy: -0.231
local terms energy: -69.922868
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -108.065860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.065860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.065860 (E_RNA)
where:
Base-Base interactions energy: -44.175
where: short stacking energy: -29.958
Base-Backbone interact. energy: -0.451
local terms energy: -63.439202
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -4.728
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: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -106.986212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.986212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.986212 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -37.498
Base-Backbone interact. energy: -0.045
local terms energy: -67.428926
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -4.243
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: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -423.283894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.283894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.283894 (E_RNA)
where:
Base-Base interactions energy: -299.250
where: short stacking energy: -125.538
Base-Backbone interact. energy: -0.001
local terms energy: -124.033487
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -36.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -419.558758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.558758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.558758 (E_RNA)
where:
Base-Base interactions energy: -298.616
where: short stacking energy: -126.473
Base-Backbone interact. energy: -0.157
local terms energy: -120.786128
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -37.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -416.388267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.388267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.388267 (E_RNA)
where:
Base-Base interactions energy: -291.477
where: short stacking energy: -116.014
Base-Backbone interact. energy: -0.309
local terms energy: -124.602210
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -37.917
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: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -401.392787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.392787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.392787 (E_RNA)
where:
Base-Base interactions energy: -281.939
where: short stacking energy: -122.089
Base-Backbone interact. energy: -0.223
local terms energy: -119.230458
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -34.714
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: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -407.318230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.318230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.318230 (E_RNA)
where:
Base-Base interactions energy: -296.778
where: short stacking energy: -122.981
Base-Backbone interact. energy: -0.060
local terms energy: -110.480744
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -36.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -382.645199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.645199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.645199 (E_RNA)
where:
Base-Base interactions energy: -272.215
where: short stacking energy: -106.866
Base-Backbone interact. energy: -0.339
local terms energy: -110.091980
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -27.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -397.405467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.405467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.405467 (E_RNA)
where:
Base-Base interactions energy: -280.777
where: short stacking energy: -114.114
Base-Backbone interact. energy: -0.310
local terms energy: -116.318745
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -33.232
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: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -114.794250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.794250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.794250 (E_RNA)
where:
Base-Base interactions energy: -56.235
where: short stacking energy: -54.851
Base-Backbone interact. energy: -0.170
local terms energy: -58.389375
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -162.975428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.975428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.975428 (E_RNA)
where:
Base-Base interactions energy: -92.065
where: short stacking energy: -51.994
Base-Backbone interact. energy: -0.457
local terms energy: -70.452815
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -4.491
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: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -100.904334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.904334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.904334 (E_RNA)
where:
Base-Base interactions energy: -29.500
where: short stacking energy: -23.645
Base-Backbone interact. energy: -1.047
local terms energy: -70.356765
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -425.493292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.493292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.493292 (E_RNA)
where:
Base-Base interactions energy: -298.002
where: short stacking energy: -121.225
Base-Backbone interact. energy: -0.001
local terms energy: -127.489826
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -35.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -408.307756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.307756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.307756 (E_RNA)
where:
Base-Base interactions energy: -286.502
where: short stacking energy: -114.677
Base-Backbone interact. energy: -0.469
local terms energy: -121.336492
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -35.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -415.691882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.691882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.691882 (E_RNA)
where:
Base-Base interactions energy: -302.791
where: short stacking energy: -127.278
Base-Backbone interact. energy: 1.568
local terms energy: -114.469003
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -35.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -414.649716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.649716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.649716 (E_RNA)
where:
Base-Base interactions energy: -295.745
where: short stacking energy: -122.945
Base-Backbone interact. energy: -0.001
local terms energy: -118.903502
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -35.545
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: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -407.643478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.643478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.643478 (E_RNA)
where:
Base-Base interactions energy: -286.308
where: short stacking energy: -116.858
Base-Backbone interact. energy: -0.002
local terms energy: -121.333277
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -35.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -395.489566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.489566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.489566 (E_RNA)
where:
Base-Base interactions energy: -276.294
where: short stacking energy: -109.532
Base-Backbone interact. energy: -0.015
local terms energy: -119.180563
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -34.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -388.929097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.929097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.929097 (E_RNA)
where:
Base-Base interactions energy: -279.362
where: short stacking energy: -117.505
Base-Backbone interact. energy: -0.132
local terms energy: -109.435039
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -14.841
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: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -200.380900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.380900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.380900 (E_RNA)
where:
Base-Base interactions energy: -110.791
where: short stacking energy: -60.945
Base-Backbone interact. energy: 0.608
local terms energy: -90.197996
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -16.413
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: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -113.986384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.986384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.986384 (E_RNA)
where:
Base-Base interactions energy: -55.977
where: short stacking energy: -37.988
Base-Backbone interact. energy: 0.774
local terms energy: -58.782769
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -11.956
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: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -101.536731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.536731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.536731 (E_RNA)
where:
Base-Base interactions energy: -35.876
where: short stacking energy: -20.850
Base-Backbone interact. energy: -0.244
local terms energy: -65.416074
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -10.997
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: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -415.841516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.841516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.841516 (E_RNA)
where:
Base-Base interactions energy: -291.553
where: short stacking energy: -120.879
Base-Backbone interact. energy: -0.156
local terms energy: -124.132486
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -36.785
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: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -413.044548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.044548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.044548 (E_RNA)
where:
Base-Base interactions energy: -290.278
where: short stacking energy: -119.814
Base-Backbone interact. energy: -0.143
local terms energy: -122.623580
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -35.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -408.613125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.613125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.613125 (E_RNA)
where:
Base-Base interactions energy: -290.264
where: short stacking energy: -121.622
Base-Backbone interact. energy: -0.044
local terms energy: -118.304781
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -25.283
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -34.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -406.172132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.172132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.172132 (E_RNA)
where:
Base-Base interactions energy: -288.798
where: short stacking energy: -121.031
Base-Backbone interact. energy: -0.952
local terms energy: -116.422146
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -35.581
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: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -392.517968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.517968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.517968 (E_RNA)
where:
Base-Base interactions energy: -282.625
where: short stacking energy: -113.687
Base-Backbone interact. energy: -0.004
local terms energy: -109.889143
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -36.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -392.472511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.472511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.472511 (E_RNA)
where:
Base-Base interactions energy: -280.045
where: short stacking energy: -113.258
Base-Backbone interact. energy: 0.625
local terms energy: -113.052202
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -376.893990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.893990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.893990 (E_RNA)
where:
Base-Base interactions energy: -274.847
where: short stacking energy: -108.748
Base-Backbone interact. energy: -0.297
local terms energy: -101.750541
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -31.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -185.194646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.194646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.194646 (E_RNA)
where:
Base-Base interactions energy: -96.134
where: short stacking energy: -53.991
Base-Backbone interact. energy: -0.438
local terms energy: -88.622532
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -119.974945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.974945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.974945 (E_RNA)
where:
Base-Base interactions energy: -39.853
where: short stacking energy: -31.163
Base-Backbone interact. energy: -0.056
local terms energy: -80.065242
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -104.327944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.327944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.327944 (E_RNA)
where:
Base-Base interactions energy: -44.363
where: short stacking energy: -44.317
Base-Backbone interact. energy: -0.399
local terms energy: -59.565568
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -424.571102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.571102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.571102 (E_RNA)
where:
Base-Base interactions energy: -300.336
where: short stacking energy: -124.748
Base-Backbone interact. energy: -0.003
local terms energy: -124.231119
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -36.872
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: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -414.113172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.113172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.113172 (E_RNA)
where:
Base-Base interactions energy: -295.215
where: short stacking energy: -119.067
Base-Backbone interact. energy: 0.171
local terms energy: -119.068763
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -32.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -411.111706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.111706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.111706 (E_RNA)
where:
Base-Base interactions energy: -292.086
where: short stacking energy: -118.756
Base-Backbone interact. energy: -0.243
local terms energy: -118.782471
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -35.734
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: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -404.722090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.722090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.722090 (E_RNA)
where:
Base-Base interactions energy: -291.984
where: short stacking energy: -122.357
Base-Backbone interact. energy: -0.001
local terms energy: -112.737639
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -32.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -391.670727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.670727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.670727 (E_RNA)
where:
Base-Base interactions energy: -276.025
where: short stacking energy: -115.664
Base-Backbone interact. energy: -0.029
local terms energy: -115.616699
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -28.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -396.553953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.553953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.553953 (E_RNA)
where:
Base-Base interactions energy: -287.467
where: short stacking energy: -116.001
Base-Backbone interact. energy: -0.004
local terms energy: -109.082727
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -34.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -396.724832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.724832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.724832 (E_RNA)
where:
Base-Base interactions energy: -284.867
where: short stacking energy: -119.512
Base-Backbone interact. energy: 0.356
local terms energy: -112.213695
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -35.873
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: 171
Temperature: 1.250000
Total energy: -187.036949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.036949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.036949 (E_RNA)
where:
Base-Base interactions energy: -100.713
where: short stacking energy: -48.849
Base-Backbone interact. energy: -0.297
local terms energy: -86.027687
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -111.757126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.757126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.757126 (E_RNA)
where:
Base-Base interactions energy: -46.301
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.286
local terms energy: -65.170138
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -3.435
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -102.785179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.785179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.785179 (E_RNA)
where:
Base-Base interactions energy: -48.413
where: short stacking energy: -30.866
Base-Backbone interact. energy: 3.091
local terms energy: -57.462990
where:
bonds (distance) C4'-P energy: -7.620
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -418.023754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.023754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.023754 (E_RNA)
where:
Base-Base interactions energy: -294.828
where: short stacking energy: -122.513
Base-Backbone interact. energy: -0.220
local terms energy: -122.976477
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -37.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -412.039560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.039560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.039560 (E_RNA)
where:
Base-Base interactions energy: -291.401
where: short stacking energy: -117.437
Base-Backbone interact. energy: -0.003
local terms energy: -120.636273
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -36.018
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: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -407.831846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.831846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.831846 (E_RNA)
where:
Base-Base interactions energy: -288.941
where: short stacking energy: -114.227
Base-Backbone interact. energy: -0.002
local terms energy: -118.889007
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -34.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -411.321698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.321698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.321698 (E_RNA)
where:
Base-Base interactions energy: -290.189
where: short stacking energy: -121.891
Base-Backbone interact. energy: -0.218
local terms energy: -120.914769
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -38.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -399.098175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.098175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.098175 (E_RNA)
where:
Base-Base interactions energy: -284.638
where: short stacking energy: -111.521
Base-Backbone interact. energy: -0.100
local terms energy: -114.359875
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -35.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -386.150625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.150625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.150625 (E_RNA)
where:
Base-Base interactions energy: -271.256
where: short stacking energy: -107.729
Base-Backbone interact. energy: -0.002
local terms energy: -114.892704
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -31.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -390.251126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.251126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.251126 (E_RNA)
where:
Base-Base interactions energy: -277.906
where: short stacking energy: -117.151
Base-Backbone interact. energy: -0.268
local terms energy: -112.077266
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -36.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -121.638391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.638391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.638391 (E_RNA)
where:
Base-Base interactions energy: -39.857
where: short stacking energy: -36.137
Base-Backbone interact. energy: -0.069
local terms energy: -81.712296
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -5.653
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: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -107.114640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.114640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.114640 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -32.134
Base-Backbone interact. energy: -1.447
local terms energy: -64.024546
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: 2.076
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: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -105.258496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.258496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.258496 (E_RNA)
where:
Base-Base interactions energy: -33.510
where: short stacking energy: -26.699
Base-Backbone interact. energy: -0.396
local terms energy: -71.352673
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -4.304
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: 173
Temperature: 0.900000
Total energy: -422.584750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.584750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.584750 (E_RNA)
where:
Base-Base interactions energy: -296.295
where: short stacking energy: -121.802
Base-Backbone interact. energy: -0.002
local terms energy: -126.288430
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -36.041
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: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -420.141774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.141774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.141774 (E_RNA)
where:
Base-Base interactions energy: -301.279
where: short stacking energy: -126.289
Base-Backbone interact. energy: -0.696
local terms energy: -118.166516
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -37.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -418.977925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.977925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.977925 (E_RNA)
where:
Base-Base interactions energy: -291.685
where: short stacking energy: -123.674
Base-Backbone interact. energy: -0.005
local terms energy: -127.287362
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -38.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -397.232033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.232033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.232033 (E_RNA)
where:
Base-Base interactions energy: -281.232
where: short stacking energy: -113.198
Base-Backbone interact. energy: -0.285
local terms energy: -115.714981
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -38.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -408.492679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.492679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.492679 (E_RNA)
where:
Base-Base interactions energy: -291.719
where: short stacking energy: -120.551
Base-Backbone interact. energy: -0.469
local terms energy: -116.304081
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -16.590
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: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -404.922648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.922648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.922648 (E_RNA)
where:
Base-Base interactions energy: -282.513
where: short stacking energy: -119.812
Base-Backbone interact. energy: -0.108
local terms energy: -122.301493
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -24.859
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -37.136
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: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -367.570126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.570126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.570126 (E_RNA)
where:
Base-Base interactions energy: -258.343
where: short stacking energy: -111.035
Base-Backbone interact. energy: -0.162
local terms energy: -109.064494
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -35.156
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: 173
Temperature: 1.250000
Total energy: -113.642290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.642290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.642290 (E_RNA)
where:
Base-Base interactions energy: -40.788
where: short stacking energy: -33.586
Base-Backbone interact. energy: -0.452
local terms energy: -72.403040
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -0.463
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: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -107.959135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.959135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.959135 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -25.031
Base-Backbone interact. energy: 0.274
local terms energy: -73.811609
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -12.412
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: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -100.030042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.030042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.030042 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -24.611
Base-Backbone interact. energy: -0.050
local terms energy: -70.085954
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -423.360896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.360896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.360896 (E_RNA)
where:
Base-Base interactions energy: -298.276
where: short stacking energy: -115.351
Base-Backbone interact. energy: -0.477
local terms energy: -124.608450
where:
bonds (distance) C4'-P energy: -22.866
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -35.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -416.745176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.745176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.745176 (E_RNA)
where:
Base-Base interactions energy: -297.923
where: short stacking energy: -121.553
Base-Backbone interact. energy: -0.002
local terms energy: -118.820409
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -38.527
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: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -406.393712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.393712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.393712 (E_RNA)
where:
Base-Base interactions energy: -288.915
where: short stacking energy: -115.943
Base-Backbone interact. energy: -0.045
local terms energy: -117.433707
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -34.423
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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -394.967359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.967359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.967359 (E_RNA)
where:
Base-Base interactions energy: -276.357
where: short stacking energy: -113.170
Base-Backbone interact. energy: -0.004
local terms energy: -118.606716
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -33.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -401.426153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.426153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.426153 (E_RNA)
where:
Base-Base interactions energy: -292.066
where: short stacking energy: -123.058
Base-Backbone interact. energy: -0.003
local terms energy: -109.357151
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -35.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -395.941989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.941989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.941989 (E_RNA)
where:
Base-Base interactions energy: -278.441
where: short stacking energy: -106.337
Base-Backbone interact. energy: -0.159
local terms energy: -117.341828
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -36.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -389.764142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.764142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.764142 (E_RNA)
where:
Base-Base interactions energy: -272.476
where: short stacking energy: -104.934
Base-Backbone interact. energy: -0.307
local terms energy: -116.980955
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -31.983
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: 174
Temperature: 1.250000
Total energy: -116.727077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.727077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.727077 (E_RNA)
where:
Base-Base interactions energy: -40.693
where: short stacking energy: -40.418
Base-Backbone interact. energy: -0.061
local terms energy: -75.973110
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -126.293564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.293564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.293564 (E_RNA)
where:
Base-Base interactions energy: -53.667
where: short stacking energy: -40.642
Base-Backbone interact. energy: 0.282
local terms energy: -72.908635
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -3.446
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: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -104.267707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.267707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.267707 (E_RNA)
where:
Base-Base interactions energy: -31.931
where: short stacking energy: -28.515
Base-Backbone interact. energy: 0.147
local terms energy: -72.483381
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -424.096498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.096498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.096498 (E_RNA)
where:
Base-Base interactions energy: -296.586
where: short stacking energy: -122.731
Base-Backbone interact. energy: -0.044
local terms energy: -127.466411
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -33.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -416.050463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.050463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.050463 (E_RNA)
where:
Base-Base interactions energy: -287.960
where: short stacking energy: -124.069
Base-Backbone interact. energy: -0.638
local terms energy: -127.452265
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -36.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -416.615777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.615777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.615777 (E_RNA)
where:
Base-Base interactions energy: -293.447
where: short stacking energy: -115.269
Base-Backbone interact. energy: -0.660
local terms energy: -122.508836
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -33.475
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: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -404.680632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.680632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.680632 (E_RNA)
where:
Base-Base interactions energy: -284.601
where: short stacking energy: -113.304
Base-Backbone interact. energy: -0.112
local terms energy: -119.967609
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -34.328
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: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -402.937164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.937164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.937164 (E_RNA)
where:
Base-Base interactions energy: -290.060
where: short stacking energy: -117.608
Base-Backbone interact. energy: -0.011
local terms energy: -112.866069
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -35.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -395.814490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.814490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.814490 (E_RNA)
where:
Base-Base interactions energy: -284.495
where: short stacking energy: -118.455
Base-Backbone interact. energy: -0.003
local terms energy: -111.316236
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -34.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -385.999223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.999223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.999223 (E_RNA)
where:
Base-Base interactions energy: -281.451
where: short stacking energy: -111.103
Base-Backbone interact. energy: -0.017
local terms energy: -104.531179
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -33.882
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: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -197.395930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.395930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.395930 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -50.715
Base-Backbone interact. energy: -0.484
local terms energy: -80.862138
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -126.199180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.199180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.199180 (E_RNA)
where:
Base-Base interactions energy: -49.705
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.101
local terms energy: -76.393115
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -4.816
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: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -121.511377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.511377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.511377 (E_RNA)
where:
Base-Base interactions energy: -58.106
where: short stacking energy: -42.771
Base-Backbone interact. energy: -0.442
local terms energy: -62.963804
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -423.329975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.329975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.329975 (E_RNA)
where:
Base-Base interactions energy: -300.769
where: short stacking energy: -127.473
Base-Backbone interact. energy: 0.019
local terms energy: -122.580293
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -26.270
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -34.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -420.006367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.006367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.006367 (E_RNA)
where:
Base-Base interactions energy: -300.619
where: short stacking energy: -120.127
Base-Backbone interact. energy: -0.001
local terms energy: -119.385736
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -38.083
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: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -407.162743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.162743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.162743 (E_RNA)
where:
Base-Base interactions energy: -289.412
where: short stacking energy: -114.873
Base-Backbone interact. energy: -0.240
local terms energy: -117.510939
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -402.827020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.827020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.827020 (E_RNA)
where:
Base-Base interactions energy: -280.204
where: short stacking energy: -116.962
Base-Backbone interact. energy: 0.246
local terms energy: -122.868773
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -37.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -400.294208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.294208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.294208 (E_RNA)
where:
Base-Base interactions energy: -277.753
where: short stacking energy: -112.513
Base-Backbone interact. energy: -0.041
local terms energy: -122.499893
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -33.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -394.809888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.809888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.809888 (E_RNA)
where:
Base-Base interactions energy: -279.846
where: short stacking energy: -119.140
Base-Backbone interact. energy: 0.805
local terms energy: -115.769640
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -34.592
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: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -393.817151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.817151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.817151 (E_RNA)
where:
Base-Base interactions energy: -289.553
where: short stacking energy: -110.801
Base-Backbone interact. energy: 0.402
local terms energy: -104.665584
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -36.155
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: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -245.803178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.803178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.803178 (E_RNA)
where:
Base-Base interactions energy: -154.976
where: short stacking energy: -66.158
Base-Backbone interact. energy: 1.980
local terms energy: -92.807736
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -16.808
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: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -119.691953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.691953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.691953 (E_RNA)
where:
Base-Base interactions energy: -34.438
where: short stacking energy: -24.894
Base-Backbone interact. energy: 0.078
local terms energy: -85.332512
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -4.989
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: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -118.622013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.622013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.622013 (E_RNA)
where:
Base-Base interactions energy: -41.935
where: short stacking energy: -40.145
Base-Backbone interact. energy: -0.104
local terms energy: -76.583598
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -8.281
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: 177
Temperature: 0.900000
Total energy: -418.947327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.947327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.947327 (E_RNA)
where:
Base-Base interactions energy: -295.398
where: short stacking energy: -122.552
Base-Backbone interact. energy: -0.002
local terms energy: -123.546728
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -37.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -415.803747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.803747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.803747 (E_RNA)
where:
Base-Base interactions energy: -291.835
where: short stacking energy: -120.841
Base-Backbone interact. energy: -0.595
local terms energy: -123.373591
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -36.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -418.798021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.798021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.798021 (E_RNA)
where:
Base-Base interactions energy: -293.582
where: short stacking energy: -116.132
Base-Backbone interact. energy: 0.755
local terms energy: -125.970755
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -35.032
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: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -403.850629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.850629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.850629 (E_RNA)
where:
Base-Base interactions energy: -289.906
where: short stacking energy: -117.559
Base-Backbone interact. energy: -0.058
local terms energy: -113.886745
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -35.182
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: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -396.769045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.769045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.769045 (E_RNA)
where:
Base-Base interactions energy: -289.196
where: short stacking energy: -115.038
Base-Backbone interact. energy: -0.493
local terms energy: -107.080440
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -36.326
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: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -392.830763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.830763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.830763 (E_RNA)
where:
Base-Base interactions energy: -279.761
where: short stacking energy: -120.770
Base-Backbone interact. energy: -0.001
local terms energy: -113.068856
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -34.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -383.293452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.293452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.293452 (E_RNA)
where:
Base-Base interactions energy: -275.052
where: short stacking energy: -105.747
Base-Backbone interact. energy: -0.052
local terms energy: -108.189582
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -35.053
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: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -280.009389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.009389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.009389 (E_RNA)
where:
Base-Base interactions energy: -195.772
where: short stacking energy: -77.940
Base-Backbone interact. energy: -0.051
local terms energy: -84.186541
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -145.285509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.285509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.285509 (E_RNA)
where:
Base-Base interactions energy: -62.891
where: short stacking energy: -38.659
Base-Backbone interact. energy: -0.285
local terms energy: -82.109403
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -100.722318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.722318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.722318 (E_RNA)
where:
Base-Base interactions energy: -30.219
where: short stacking energy: -30.219
Base-Backbone interact. energy: -0.022
local terms energy: -70.482008
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -413.160321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.160321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.160321 (E_RNA)
where:
Base-Base interactions energy: -294.431
where: short stacking energy: -118.026
Base-Backbone interact. energy: -0.145
local terms energy: -118.584385
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -34.574
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: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -411.893090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.893090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.893090 (E_RNA)
where:
Base-Base interactions energy: -293.541
where: short stacking energy: -124.171
Base-Backbone interact. energy: -0.041
local terms energy: -118.310437
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -33.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -406.610063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.610063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.610063 (E_RNA)
where:
Base-Base interactions energy: -278.734
where: short stacking energy: -113.954
Base-Backbone interact. energy: -0.612
local terms energy: -127.263729
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -32.349
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: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -404.262874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.262874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.262874 (E_RNA)
where:
Base-Base interactions energy: -282.533
where: short stacking energy: -117.131
Base-Backbone interact. energy: -0.042
local terms energy: -121.687530
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -36.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -393.093247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.093247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.093247 (E_RNA)
where:
Base-Base interactions energy: -277.409
where: short stacking energy: -115.887
Base-Backbone interact. energy: -0.015
local terms energy: -115.669372
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -35.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -401.959395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.959395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.959395 (E_RNA)
where:
Base-Base interactions energy: -278.028
where: short stacking energy: -112.971
Base-Backbone interact. energy: -0.290
local terms energy: -123.640994
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: -36.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -352.004642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.004642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.004642 (E_RNA)
where:
Base-Base interactions energy: -246.583
where: short stacking energy: -104.404
Base-Backbone interact. energy: -0.012
local terms energy: -105.409614
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -31.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -335.907661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.907661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.907661 (E_RNA)
where:
Base-Base interactions energy: -239.930
where: short stacking energy: -89.864
Base-Backbone interact. energy: -0.438
local terms energy: -95.540370
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -8.774
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -111.025462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.025462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.025462 (E_RNA)
where:
Base-Base interactions energy: -46.829
where: short stacking energy: -39.821
Base-Backbone interact. energy: -0.137
local terms energy: -64.059589
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -0.017
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: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -108.065540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.065540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.065540 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -30.918
Base-Backbone interact. energy: 1.823
local terms energy: -75.060809
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -6.718
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: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -412.125262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.125262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.125262 (E_RNA)
where:
Base-Base interactions energy: -289.354
where: short stacking energy: -112.264
Base-Backbone interact. energy: -0.030
local terms energy: -122.740367
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -37.528
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: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -413.724240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.724240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.724240 (E_RNA)
where:
Base-Base interactions energy: -290.314
where: short stacking energy: -124.440
Base-Backbone interact. energy: -0.571
local terms energy: -122.839276
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -35.219
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: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -411.406805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.406805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.406805 (E_RNA)
where:
Base-Base interactions energy: -289.441
where: short stacking energy: -120.605
Base-Backbone interact. energy: -0.028
local terms energy: -121.938558
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -35.312
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: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -410.178163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.178163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.178163 (E_RNA)
where:
Base-Base interactions energy: -295.257
where: short stacking energy: -122.206
Base-Backbone interact. energy: -0.191
local terms energy: -114.730216
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -35.276
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: 179
Temperature: 1.100000
Total energy: -400.040083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.040083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.040083 (E_RNA)
where:
Base-Base interactions energy: -284.945
where: short stacking energy: -120.047
Base-Backbone interact. energy: -0.003
local terms energy: -115.091802
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -35.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -393.775540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.775540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.775540 (E_RNA)
where:
Base-Base interactions energy: -278.847
where: short stacking energy: -122.039
Base-Backbone interact. energy: -0.002
local terms energy: -114.926140
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -25.866
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -333.078013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.078013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.078013 (E_RNA)
where:
Base-Base interactions energy: -231.054
where: short stacking energy: -98.367
Base-Backbone interact. energy: -0.060
local terms energy: -101.963989
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -28.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -342.649429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.649429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.649429 (E_RNA)
where:
Base-Base interactions energy: -239.789
where: short stacking energy: -101.064
Base-Backbone interact. energy: -0.184
local terms energy: -102.675527
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -116.850275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.850275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.850275 (E_RNA)
where:
Base-Base interactions energy: -60.095
where: short stacking energy: -26.761
Base-Backbone interact. energy: -0.221
local terms energy: -56.534564
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: 3.488
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: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -103.500393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.500393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.500393 (E_RNA)
where:
Base-Base interactions energy: -34.432
where: short stacking energy: -30.298
Base-Backbone interact. energy: -1.065
local terms energy: -68.002720
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: 2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -421.780631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.780631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.780631 (E_RNA)
where:
Base-Base interactions energy: -296.162
where: short stacking energy: -124.448
Base-Backbone interact. energy: -0.122
local terms energy: -125.496113
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -36.428
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: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -428.335476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.335476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.335476 (E_RNA)
where:
Base-Base interactions energy: -301.534
where: short stacking energy: -123.471
Base-Backbone interact. energy: -0.292
local terms energy: -126.508800
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -36.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -401.983362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.983362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.983362 (E_RNA)
where:
Base-Base interactions energy: -287.071
where: short stacking energy: -117.602
Base-Backbone interact. energy: -0.001
local terms energy: -114.910952
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -36.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -402.093917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.093917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.093917 (E_RNA)
where:
Base-Base interactions energy: -279.331
where: short stacking energy: -114.632
Base-Backbone interact. energy: -0.602
local terms energy: -122.160525
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -33.550
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: 180
Temperature: 1.100000
Total energy: -391.819601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.819601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.819601 (E_RNA)
where:
Base-Base interactions energy: -268.081
where: short stacking energy: -111.056
Base-Backbone interact. energy: -0.001
local terms energy: -123.738449
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -35.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -392.829868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.829868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.829868 (E_RNA)
where:
Base-Base interactions energy: -273.169
where: short stacking energy: -116.770
Base-Backbone interact. energy: -0.013
local terms energy: -119.647138
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -35.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -373.413227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.413227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.413227 (E_RNA)
where:
Base-Base interactions energy: -270.517
where: short stacking energy: -118.517
Base-Backbone interact. energy: -0.174
local terms energy: -102.722383
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -34.906
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: 180
Temperature: 1.250000
Total energy: -342.168324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.168324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.168324 (E_RNA)
where:
Base-Base interactions energy: -229.001
where: short stacking energy: -93.159
Base-Backbone interact. energy: -0.251
local terms energy: -112.916031
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -29.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -122.717480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.717480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.717480 (E_RNA)
where:
Base-Base interactions energy: -55.064
where: short stacking energy: -33.319
Base-Backbone interact. energy: 0.097
local terms energy: -67.750268
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -110.488210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.488210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.488210 (E_RNA)
where:
Base-Base interactions energy: -39.142
where: short stacking energy: -38.714
Base-Backbone interact. energy: -0.260
local terms energy: -71.086135
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -6.997
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: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -431.070564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.070564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.070564 (E_RNA)
where:
Base-Base interactions energy: -301.636
where: short stacking energy: -130.288
Base-Backbone interact. energy: -0.002
local terms energy: -129.432053
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -38.544
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: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -417.888698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.888698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.888698 (E_RNA)
where:
Base-Base interactions energy: -297.442
where: short stacking energy: -122.535
Base-Backbone interact. energy: -0.159
local terms energy: -120.288503
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -37.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -414.475171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.475171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.475171 (E_RNA)
where:
Base-Base interactions energy: -297.738
where: short stacking energy: -120.028
Base-Backbone interact. energy: -0.673
local terms energy: -116.063953
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -35.612
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: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -404.031576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.031576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.031576 (E_RNA)
where:
Base-Base interactions energy: -293.574
where: short stacking energy: -127.452
Base-Backbone interact. energy: -0.003
local terms energy: -110.454583
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -400.021667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.021667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.021667 (E_RNA)
where:
Base-Base interactions energy: -282.336
where: short stacking energy: -117.965
Base-Backbone interact. energy: -0.012
local terms energy: -117.673914
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -34.406
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: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -394.862804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.862804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.862804 (E_RNA)
where:
Base-Base interactions energy: -277.600
where: short stacking energy: -118.145
Base-Backbone interact. energy: -1.231
local terms energy: -116.031618
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -34.626
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: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -381.137717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.137717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.137717 (E_RNA)
where:
Base-Base interactions energy: -272.651
where: short stacking energy: -110.220
Base-Backbone interact. energy: -0.724
local terms energy: -107.763102
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -34.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -347.669278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.669278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.669278 (E_RNA)
where:
Base-Base interactions energy: -242.891
where: short stacking energy: -99.106
Base-Backbone interact. energy: 1.153
local terms energy: -105.931178
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -30.273
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: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -108.182635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.182635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.182635 (E_RNA)
where:
Base-Base interactions energy: -41.826
where: short stacking energy: -41.826
Base-Backbone interact. energy: -0.068
local terms energy: -66.288383
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -10.397
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: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -106.809272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.809272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.809272 (E_RNA)
where:
Base-Base interactions energy: -33.301
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.212
local terms energy: -73.296215
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: 1.373
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: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -423.138031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.138031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.138031 (E_RNA)
where:
Base-Base interactions energy: -304.845
where: short stacking energy: -125.956
Base-Backbone interact. energy: -0.001
local terms energy: -118.291239
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -32.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -422.048357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.048357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.048357 (E_RNA)
where:
Base-Base interactions energy: -298.958
where: short stacking energy: -124.759
Base-Backbone interact. energy: -0.323
local terms energy: -122.766826
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -25.121
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -36.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -415.518325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.518325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.518325 (E_RNA)
where:
Base-Base interactions energy: -292.658
where: short stacking energy: -118.446
Base-Backbone interact. energy: 1.304
local terms energy: -124.164793
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -34.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -405.370732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.370732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.370732 (E_RNA)
where:
Base-Base interactions energy: -289.993
where: short stacking energy: -120.862
Base-Backbone interact. energy: -0.122
local terms energy: -115.256065
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -34.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -404.804309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.804309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.804309 (E_RNA)
where:
Base-Base interactions energy: -280.008
where: short stacking energy: -119.155
Base-Backbone interact. energy: -0.646
local terms energy: -124.149739
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -35.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -395.389035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.389035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.389035 (E_RNA)
where:
Base-Base interactions energy: -281.200
where: short stacking energy: -111.665
Base-Backbone interact. energy: -0.038
local terms energy: -114.151156
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -33.366
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: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -389.989575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.989575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.989575 (E_RNA)
where:
Base-Base interactions energy: -273.764
where: short stacking energy: -111.574
Base-Backbone interact. energy: -0.063
local terms energy: -116.162987
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -32.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -375.827724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.827724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.827724 (E_RNA)
where:
Base-Base interactions energy: -265.741
where: short stacking energy: -106.762
Base-Backbone interact. energy: -0.623
local terms energy: -109.464455
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -15.403
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: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -98.152200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.152200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.152200 (E_RNA)
where:
Base-Base interactions energy: -33.081
where: short stacking energy: -26.489
Base-Backbone interact. energy: 0.829
local terms energy: -65.900067
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -102.312294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.312294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.312294 (E_RNA)
where:
Base-Base interactions energy: -42.236
where: short stacking energy: -33.001
Base-Backbone interact. energy: -0.115
local terms energy: -59.961232
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -13.159
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: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -421.174610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.174610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.174610 (E_RNA)
where:
Base-Base interactions energy: -300.023
where: short stacking energy: -128.169
Base-Backbone interact. energy: -0.281
local terms energy: -120.870152
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -37.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -419.223953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.223953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.223953 (E_RNA)
where:
Base-Base interactions energy: -295.605
where: short stacking energy: -120.723
Base-Backbone interact. energy: 0.037
local terms energy: -123.655976
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -26.388
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -33.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -407.177458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.177458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.177458 (E_RNA)
where:
Base-Base interactions energy: -289.819
where: short stacking energy: -118.654
Base-Backbone interact. energy: -0.004
local terms energy: -117.353997
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -18.482
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: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -409.208433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.208433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.208433 (E_RNA)
where:
Base-Base interactions energy: -293.928
where: short stacking energy: -121.377
Base-Backbone interact. energy: -0.001
local terms energy: -115.278986
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -34.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -400.488594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.488594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.488594 (E_RNA)
where:
Base-Base interactions energy: -289.914
where: short stacking energy: -120.405
Base-Backbone interact. energy: -1.170
local terms energy: -109.404752
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -32.199
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: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -393.925715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.925715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.925715 (E_RNA)
where:
Base-Base interactions energy: -279.687
where: short stacking energy: -112.373
Base-Backbone interact. energy: -0.001
local terms energy: -114.238197
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -33.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -387.341103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.341103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.341103 (E_RNA)
where:
Base-Base interactions energy: -274.700
where: short stacking energy: -105.815
Base-Backbone interact. energy: -0.009
local terms energy: -112.632203
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -30.537
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: 183
Temperature: 1.250000
Total energy: -398.111540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.111540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.111540 (E_RNA)
where:
Base-Base interactions energy: -282.088
where: short stacking energy: -121.821
Base-Backbone interact. energy: -0.203
local terms energy: -115.820877
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -34.991
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: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -107.154066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.154066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.154066 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -41.367
Base-Backbone interact. energy: -0.628
local terms energy: -65.159155
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -94.245445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.245445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.245445 (E_RNA)
where:
Base-Base interactions energy: -40.549
where: short stacking energy: -29.776
Base-Backbone interact. energy: 0.096
local terms energy: -53.792654
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: 1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -421.063781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.063781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.063781 (E_RNA)
where:
Base-Base interactions energy: -298.346
where: short stacking energy: -125.977
Base-Backbone interact. energy: -0.002
local terms energy: -122.715741
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -26.059
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -37.270
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: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -411.512232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.512232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.512232 (E_RNA)
where:
Base-Base interactions energy: -288.155
where: short stacking energy: -115.986
Base-Backbone interact. energy: -0.123
local terms energy: -123.234246
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -35.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -415.845669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.845669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.845669 (E_RNA)
where:
Base-Base interactions energy: -298.584
where: short stacking energy: -124.245
Base-Backbone interact. energy: -0.577
local terms energy: -116.684384
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -18.360
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: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -399.726014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.726014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.726014 (E_RNA)
where:
Base-Base interactions energy: -288.025
where: short stacking energy: -116.139
Base-Backbone interact. energy: -0.500
local terms energy: -111.201462
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -32.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -399.381838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.381838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.381838 (E_RNA)
where:
Base-Base interactions energy: -293.836
where: short stacking energy: -122.108
Base-Backbone interact. energy: 1.219
local terms energy: -106.764535
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -36.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -392.297304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.297304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.297304 (E_RNA)
where:
Base-Base interactions energy: -284.394
where: short stacking energy: -117.678
Base-Backbone interact. energy: -1.473
local terms energy: -106.430655
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -33.470
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: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -384.643332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.643332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.643332 (E_RNA)
where:
Base-Base interactions energy: -268.752
where: short stacking energy: -110.679
Base-Backbone interact. energy: -0.218
local terms energy: -115.673533
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -30.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -375.224371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.224371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.224371 (E_RNA)
where:
Base-Base interactions energy: -262.434
where: short stacking energy: -104.645
Base-Backbone interact. energy: -0.074
local terms energy: -112.715909
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -15.148
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -127.500909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.500909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.500909 (E_RNA)
where:
Base-Base interactions energy: -67.554
where: short stacking energy: -46.494
Base-Backbone interact. energy: -1.092
local terms energy: -58.854618
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -6.948
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: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -98.212288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.212288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.212288 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -31.124
Base-Backbone interact. energy: 0.144
local terms energy: -66.302619
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -0.787
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: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -422.987017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.987017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.987017 (E_RNA)
where:
Base-Base interactions energy: -298.329
where: short stacking energy: -127.171
Base-Backbone interact. energy: -0.385
local terms energy: -124.272354
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -36.008
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: 185
Temperature: 0.950000
Total energy: -412.596644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.596644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.596644 (E_RNA)
where:
Base-Base interactions energy: -292.574
where: short stacking energy: -119.784
Base-Backbone interact. energy: -0.006
local terms energy: -120.017182
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -37.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -411.198315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.198315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.198315 (E_RNA)
where:
Base-Base interactions energy: -285.281
where: short stacking energy: -120.260
Base-Backbone interact. energy: -0.011
local terms energy: -125.906005
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -34.177
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: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -399.126581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.126581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.126581 (E_RNA)
where:
Base-Base interactions energy: -282.559
where: short stacking energy: -116.558
Base-Backbone interact. energy: -0.365
local terms energy: -116.202301
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -33.643
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: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -404.845294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.845294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.845294 (E_RNA)
where:
Base-Base interactions energy: -284.395
where: short stacking energy: -114.412
Base-Backbone interact. energy: -0.159
local terms energy: -120.291215
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -36.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -402.346784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.346784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.346784 (E_RNA)
where:
Base-Base interactions energy: -284.291
where: short stacking energy: -113.393
Base-Backbone interact. energy: -0.114
local terms energy: -117.941818
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -33.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -395.756173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.756173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.756173 (E_RNA)
where:
Base-Base interactions energy: -281.101
where: short stacking energy: -116.624
Base-Backbone interact. energy: -0.032
local terms energy: -114.622752
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -17.990
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: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -379.158168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.158168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.158168 (E_RNA)
where:
Base-Base interactions energy: -268.436
where: short stacking energy: -102.113
Base-Backbone interact. energy: -0.157
local terms energy: -110.564956
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -31.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -124.819809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.819809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.819809 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -37.923
Base-Backbone interact. energy: -0.116
local terms energy: -86.487729
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -8.103
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: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -108.158122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.158122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.158122 (E_RNA)
where:
Base-Base interactions energy: -29.151
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.196
local terms energy: -78.811137
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: 3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -424.839325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.839325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.839325 (E_RNA)
where:
Base-Base interactions energy: -297.321
where: short stacking energy: -121.091
Base-Backbone interact. energy: -0.850
local terms energy: -126.668391
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -37.629
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: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -414.545949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.545949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.545949 (E_RNA)
where:
Base-Base interactions energy: -289.319
where: short stacking energy: -120.410
Base-Backbone interact. energy: -0.482
local terms energy: -124.745525
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -37.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -411.085984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.085984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.085984 (E_RNA)
where:
Base-Base interactions energy: -292.059
where: short stacking energy: -121.609
Base-Backbone interact. energy: -0.189
local terms energy: -118.838409
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -34.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -399.594474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.594474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.594474 (E_RNA)
where:
Base-Base interactions energy: -280.004
where: short stacking energy: -115.044
Base-Backbone interact. energy: -0.026
local terms energy: -119.564314
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -34.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -394.463600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.463600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.463600 (E_RNA)
where:
Base-Base interactions energy: -278.022
where: short stacking energy: -117.055
Base-Backbone interact. energy: -0.007
local terms energy: -116.434491
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -32.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -393.088268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.088268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.088268 (E_RNA)
where:
Base-Base interactions energy: -274.303
where: short stacking energy: -110.220
Base-Backbone interact. energy: -0.002
local terms energy: -118.783364
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -34.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -381.818808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.818808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.818808 (E_RNA)
where:
Base-Base interactions energy: -283.388
where: short stacking energy: -113.903
Base-Backbone interact. energy: -0.038
local terms energy: -98.392506
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -33.911
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: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -387.443208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.443208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.443208 (E_RNA)
where:
Base-Base interactions energy: -272.744
where: short stacking energy: -111.172
Base-Backbone interact. energy: -0.010
local terms energy: -114.689974
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -12.592
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: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -146.982449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.982449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.982449 (E_RNA)
where:
Base-Base interactions energy: -77.115
where: short stacking energy: -42.411
Base-Backbone interact. energy: 0.067
local terms energy: -69.934004
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -6.898
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: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -100.977343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.977343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.977343 (E_RNA)
where:
Base-Base interactions energy: -45.337
where: short stacking energy: -36.982
Base-Backbone interact. energy: -0.176
local terms energy: -55.464306
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: 2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -416.756885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.756885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.756885 (E_RNA)
where:
Base-Base interactions energy: -288.075
where: short stacking energy: -117.489
Base-Backbone interact. energy: -0.002
local terms energy: -128.679930
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -36.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -413.986869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.986869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.986869 (E_RNA)
where:
Base-Base interactions energy: -296.400
where: short stacking energy: -121.308
Base-Backbone interact. energy: -0.074
local terms energy: -117.513037
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -34.098
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: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -406.163655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.163655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.163655 (E_RNA)
where:
Base-Base interactions energy: -283.991
where: short stacking energy: -116.309
Base-Backbone interact. energy: -0.593
local terms energy: -121.579601
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -32.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -398.381652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.381652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.381652 (E_RNA)
where:
Base-Base interactions energy: -283.316
where: short stacking energy: -111.258
Base-Backbone interact. energy: -0.127
local terms energy: -114.938984
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -34.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -401.663511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.663511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.663511 (E_RNA)
where:
Base-Base interactions energy: -288.135
where: short stacking energy: -114.860
Base-Backbone interact. energy: 0.133
local terms energy: -113.661097
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -37.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -393.002366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.002366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.002366 (E_RNA)
where:
Base-Base interactions energy: -286.025
where: short stacking energy: -116.044
Base-Backbone interact. energy: -0.002
local terms energy: -106.975387
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -34.909
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: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -385.550174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.550174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.550174 (E_RNA)
where:
Base-Base interactions energy: -277.256
where: short stacking energy: -120.766
Base-Backbone interact. energy: -0.022
local terms energy: -108.272243
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -33.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -377.025506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.025506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.025506 (E_RNA)
where:
Base-Base interactions energy: -268.546
where: short stacking energy: -112.335
Base-Backbone interact. energy: -0.359
local terms energy: -108.120687
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -33.807
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: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -141.701687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.701687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.701687 (E_RNA)
where:
Base-Base interactions energy: -65.554
where: short stacking energy: -42.131
Base-Backbone interact. energy: -0.132
local terms energy: -76.015591
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -7.169
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: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -108.249729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.249729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.249729 (E_RNA)
where:
Base-Base interactions energy: -50.560
where: short stacking energy: -43.285
Base-Backbone interact. energy: -0.440
local terms energy: -57.249377
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -2.649
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: 188
Temperature: 0.900000
Total energy: -419.173921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.173921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.173921 (E_RNA)
where:
Base-Base interactions energy: -293.602
where: short stacking energy: -120.150
Base-Backbone interact. energy: -0.710
local terms energy: -124.862176
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -34.384
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: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -404.987455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.987455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.987455 (E_RNA)
where:
Base-Base interactions energy: -287.208
where: short stacking energy: -121.731
Base-Backbone interact. energy: -1.137
local terms energy: -116.642864
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -34.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -409.477008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.477008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.477008 (E_RNA)
where:
Base-Base interactions energy: -292.785
where: short stacking energy: -123.818
Base-Backbone interact. energy: -0.003
local terms energy: -116.688415
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -37.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -407.106699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.106699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.106699 (E_RNA)
where:
Base-Base interactions energy: -289.039
where: short stacking energy: -120.956
Base-Backbone interact. energy: -0.161
local terms energy: -117.905879
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -33.334
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: 188
Temperature: 1.100000
Total energy: -399.881726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.881726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.881726 (E_RNA)
where:
Base-Base interactions energy: -285.948
where: short stacking energy: -116.881
Base-Backbone interact. energy: -1.269
local terms energy: -112.664831
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -37.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -380.666738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.666738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.666738 (E_RNA)
where:
Base-Base interactions energy: -269.368
where: short stacking energy: -112.705
Base-Backbone interact. energy: 0.244
local terms energy: -111.542742
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -389.721603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.721603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.721603 (E_RNA)
where:
Base-Base interactions energy: -281.516
where: short stacking energy: -116.583
Base-Backbone interact. energy: -0.023
local terms energy: -108.181911
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -33.771
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: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -384.201312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.201312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.201312 (E_RNA)
where:
Base-Base interactions energy: -265.527
where: short stacking energy: -110.868
Base-Backbone interact. energy: -0.137
local terms energy: -118.536953
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -33.788
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: 188
Temperature: 1.300000
Total energy: -114.118644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.118644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.118644 (E_RNA)
where:
Base-Base interactions energy: -39.959
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.033
local terms energy: -74.126887
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -0.079
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: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -109.956573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.956573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.956573 (E_RNA)
where:
Base-Base interactions energy: -43.079
where: short stacking energy: -29.479
Base-Backbone interact. energy: -0.752
local terms energy: -66.125101
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -424.333814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.333814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.333814 (E_RNA)
where:
Base-Base interactions energy: -300.940
where: short stacking energy: -124.807
Base-Backbone interact. energy: -0.355
local terms energy: -123.039132
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -37.210
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: 189
Temperature: 0.950000
Total energy: -420.238178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.238178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.238178 (E_RNA)
where:
Base-Base interactions energy: -291.016
where: short stacking energy: -124.359
Base-Backbone interact. energy: -0.384
local terms energy: -128.838546
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -20.384
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: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -408.577104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.577104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.577104 (E_RNA)
where:
Base-Base interactions energy: -295.228
where: short stacking energy: -117.519
Base-Backbone interact. energy: -0.867
local terms energy: -112.482761
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -33.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -404.478984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.478984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.478984 (E_RNA)
where:
Base-Base interactions energy: -276.773
where: short stacking energy: -116.138
Base-Backbone interact. energy: 0.248
local terms energy: -127.954291
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -25.851
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -35.089
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: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -399.122746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.122746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.122746 (E_RNA)
where:
Base-Base interactions energy: -284.304
where: short stacking energy: -110.160
Base-Backbone interact. energy: -0.065
local terms energy: -114.753110
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -32.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -398.671394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.671394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.671394 (E_RNA)
where:
Base-Base interactions energy: -282.035
where: short stacking energy: -112.495
Base-Backbone interact. energy: -0.157
local terms energy: -116.479709
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -32.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -387.619003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.619003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.619003 (E_RNA)
where:
Base-Base interactions energy: -282.637
where: short stacking energy: -116.057
Base-Backbone interact. energy: -0.008
local terms energy: -104.973598
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -31.654
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: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -372.116175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.116175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.116175 (E_RNA)
where:
Base-Base interactions energy: -261.340
where: short stacking energy: -103.240
Base-Backbone interact. energy: -0.565
local terms energy: -110.210600
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -30.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -120.269834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.269834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.269834 (E_RNA)
where:
Base-Base interactions energy: -45.714
where: short stacking energy: -45.222
Base-Backbone interact. energy: -0.097
local terms energy: -74.458632
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -96.315965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.315965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.315965 (E_RNA)
where:
Base-Base interactions energy: -38.208
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.436
local terms energy: -57.671840
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -8.445
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: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -427.864734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.864734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.864734 (E_RNA)
where:
Base-Base interactions energy: -303.674
where: short stacking energy: -128.145
Base-Backbone interact. energy: -0.151
local terms energy: -124.039608
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -38.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -425.212845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.212845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.212845 (E_RNA)
where:
Base-Base interactions energy: -300.820
where: short stacking energy: -123.568
Base-Backbone interact. energy: -0.080
local terms energy: -124.312883
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -35.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -408.777255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.777255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.777255 (E_RNA)
where:
Base-Base interactions energy: -289.143
where: short stacking energy: -116.582
Base-Backbone interact. energy: -0.015
local terms energy: -119.619202
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -33.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -397.853506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.853506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.853506 (E_RNA)
where:
Base-Base interactions energy: -282.947
where: short stacking energy: -112.574
Base-Backbone interact. energy: 1.429
local terms energy: -116.336250
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -36.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -402.772647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.772647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.772647 (E_RNA)
where:
Base-Base interactions energy: -288.054
where: short stacking energy: -117.437
Base-Backbone interact. energy: -0.012
local terms energy: -114.707116
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -35.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -392.243668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.243668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.243668 (E_RNA)
where:
Base-Base interactions energy: -280.470
where: short stacking energy: -112.077
Base-Backbone interact. energy: -1.449
local terms energy: -110.324455
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -391.167634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.167634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.167634 (E_RNA)
where:
Base-Base interactions energy: -276.093
where: short stacking energy: -114.433
Base-Backbone interact. energy: -0.685
local terms energy: -114.389745
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -35.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -348.030778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.030778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.030778 (E_RNA)
where:
Base-Base interactions energy: -245.381
where: short stacking energy: -103.194
Base-Backbone interact. energy: 0.059
local terms energy: -102.708626
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -33.723
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: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -119.466691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.466691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.466691 (E_RNA)
where:
Base-Base interactions energy: -38.494
where: short stacking energy: -35.519
Base-Backbone interact. energy: -0.058
local terms energy: -80.914924
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -104.109815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.109815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.109815 (E_RNA)
where:
Base-Base interactions energy: -31.124
where: short stacking energy: -22.621
Base-Backbone interact. energy: -0.266
local terms energy: -72.720527
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -421.470888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.470888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.470888 (E_RNA)
where:
Base-Base interactions energy: -294.879
where: short stacking energy: -118.446
Base-Backbone interact. energy: 0.043
local terms energy: -126.634957
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -35.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -416.768523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.768523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.768523 (E_RNA)
where:
Base-Base interactions energy: -294.619
where: short stacking energy: -125.102
Base-Backbone interact. energy: -0.045
local terms energy: -122.105135
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -35.460
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: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -406.790182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.790182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.790182 (E_RNA)
where:
Base-Base interactions energy: -287.255
where: short stacking energy: -122.399
Base-Backbone interact. energy: -0.436
local terms energy: -119.099919
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -24.812
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -37.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -405.908585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.908585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.908585 (E_RNA)
where:
Base-Base interactions energy: -288.004
where: short stacking energy: -124.515
Base-Backbone interact. energy: -0.123
local terms energy: -117.781675
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -36.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -400.638134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.638134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.638134 (E_RNA)
where:
Base-Base interactions energy: -276.957
where: short stacking energy: -114.354
Base-Backbone interact. energy: -0.002
local terms energy: -123.678628
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -34.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -403.016876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.016876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.016876 (E_RNA)
where:
Base-Base interactions energy: -279.019
where: short stacking energy: -115.395
Base-Backbone interact. energy: -0.168
local terms energy: -123.829623
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -37.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -388.715879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.715879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.715879 (E_RNA)
where:
Base-Base interactions energy: -277.439
where: short stacking energy: -114.201
Base-Backbone interact. energy: -0.414
local terms energy: -110.862370
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -33.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -379.776757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.776757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.776757 (E_RNA)
where:
Base-Base interactions energy: -268.844
where: short stacking energy: -108.907
Base-Backbone interact. energy: -0.827
local terms energy: -110.105671
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -113.899599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.899599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.899599 (E_RNA)
where:
Base-Base interactions energy: -41.741
where: short stacking energy: -29.942
Base-Backbone interact. energy: -0.214
local terms energy: -71.944572
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: 0.591
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: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -112.650935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.650935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.650935 (E_RNA)
where:
Base-Base interactions energy: -34.099
where: short stacking energy: -33.802
Base-Backbone interact. energy: 0.669
local terms energy: -79.221800
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -423.112906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.112906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.112906 (E_RNA)
where:
Base-Base interactions energy: -293.228
where: short stacking energy: -118.783
Base-Backbone interact. energy: -0.219
local terms energy: -129.665655
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -38.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -415.480540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.480540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.480540 (E_RNA)
where:
Base-Base interactions energy: -294.397
where: short stacking energy: -120.255
Base-Backbone interact. energy: -0.818
local terms energy: -120.264774
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -18.570
tors. eta vs tors. theta energy: -36.827
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: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -410.979965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.979965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.979965 (E_RNA)
where:
Base-Base interactions energy: -289.841
where: short stacking energy: -119.288
Base-Backbone interact. energy: -0.001
local terms energy: -121.137791
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -34.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -407.441387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.441387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.441387 (E_RNA)
where:
Base-Base interactions energy: -285.558
where: short stacking energy: -129.142
Base-Backbone interact. energy: -0.003
local terms energy: -121.880312
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -36.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -410.546732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.546732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.546732 (E_RNA)
where:
Base-Base interactions energy: -292.884
where: short stacking energy: -121.342
Base-Backbone interact. energy: -0.004
local terms energy: -117.658997
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -33.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -391.041065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.041065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.041065 (E_RNA)
where:
Base-Base interactions energy: -275.598
where: short stacking energy: -111.145
Base-Backbone interact. energy: -0.964
local terms energy: -114.479105
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -33.028
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: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -390.124404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.124404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.124404 (E_RNA)
where:
Base-Base interactions energy: -276.567
where: short stacking energy: -111.960
Base-Backbone interact. energy: -0.034
local terms energy: -113.522976
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -32.857
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: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -396.263493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.263493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.263493 (E_RNA)
where:
Base-Base interactions energy: -281.832
where: short stacking energy: -122.477
Base-Backbone interact. energy: -0.024
local terms energy: -114.406832
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -34.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -107.854339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.854339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.854339 (E_RNA)
where:
Base-Base interactions energy: -41.164
where: short stacking energy: -40.171
Base-Backbone interact. energy: -0.079
local terms energy: -66.611236
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -107.318143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.318143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.318143 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -26.048
Base-Backbone interact. energy: 1.409
local terms energy: -74.039662
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -6.545
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: 193
Temperature: 0.900000
Total energy: -423.737943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.737943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.737943 (E_RNA)
where:
Base-Base interactions energy: -302.460
where: short stacking energy: -121.884
Base-Backbone interact. energy: -0.002
local terms energy: -121.275575
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -35.254
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: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -419.681631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.681631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.681631 (E_RNA)
where:
Base-Base interactions energy: -293.677
where: short stacking energy: -122.035
Base-Backbone interact. energy: -0.348
local terms energy: -125.656075
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -37.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -410.483740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.483740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.483740 (E_RNA)
where:
Base-Base interactions energy: -290.546
where: short stacking energy: -120.678
Base-Backbone interact. energy: -0.001
local terms energy: -119.936837
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -33.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -407.773250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.773250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.773250 (E_RNA)
where:
Base-Base interactions energy: -291.985
where: short stacking energy: -121.594
Base-Backbone interact. energy: -0.008
local terms energy: -115.779818
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -30.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -405.245615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.245615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.245615 (E_RNA)
where:
Base-Base interactions energy: -283.519
where: short stacking energy: -110.029
Base-Backbone interact. energy: -0.014
local terms energy: -121.712922
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -35.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -394.457103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.457103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.457103 (E_RNA)
where:
Base-Base interactions energy: -287.377
where: short stacking energy: -115.952
Base-Backbone interact. energy: -0.009
local terms energy: -107.070957
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -35.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -392.930365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.930365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.930365 (E_RNA)
where:
Base-Base interactions energy: -280.067
where: short stacking energy: -112.444
Base-Backbone interact. energy: -0.296
local terms energy: -112.567007
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -30.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -385.357598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.357598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.357598 (E_RNA)
where:
Base-Base interactions energy: -273.134
where: short stacking energy: -115.696
Base-Backbone interact. energy: 1.201
local terms energy: -113.425076
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -16.566
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -108.457494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.457494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.457494 (E_RNA)
where:
Base-Base interactions energy: -40.468
where: short stacking energy: -41.168
Base-Backbone interact. energy: -0.210
local terms energy: -67.779203
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -112.495994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.495994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.495994 (E_RNA)
where:
Base-Base interactions energy: -53.218
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.206
local terms energy: -59.072723
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -416.176758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.176758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.176758 (E_RNA)
where:
Base-Base interactions energy: -294.167
where: short stacking energy: -122.757
Base-Backbone interact. energy: -0.302
local terms energy: -121.707436
where:
bonds (distance) C4'-P energy: -27.477
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -35.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -411.617962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.617962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.617962 (E_RNA)
where:
Base-Base interactions energy: -294.518
where: short stacking energy: -122.587
Base-Backbone interact. energy: -0.336
local terms energy: -116.764026
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -34.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -415.877922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.877922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.877922 (E_RNA)
where:
Base-Base interactions energy: -293.103
where: short stacking energy: -116.116
Base-Backbone interact. energy: -0.298
local terms energy: -122.476242
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -32.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -408.434250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.434250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.434250 (E_RNA)
where:
Base-Base interactions energy: -287.494
where: short stacking energy: -120.857
Base-Backbone interact. energy: -0.000
local terms energy: -120.940285
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -36.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -400.331758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.331758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.331758 (E_RNA)
where:
Base-Base interactions energy: -281.890
where: short stacking energy: -117.872
Base-Backbone interact. energy: -0.623
local terms energy: -117.818491
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -22.200
tors. eta vs tors. theta energy: -35.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -396.905764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.905764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.905764 (E_RNA)
where:
Base-Base interactions energy: -285.569
where: short stacking energy: -122.196
Base-Backbone interact. energy: -0.000
local terms energy: -111.336536
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -34.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -384.700363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.700363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.700363 (E_RNA)
where:
Base-Base interactions energy: -276.930
where: short stacking energy: -110.291
Base-Backbone interact. energy: -0.003
local terms energy: -107.767253
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -34.410
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: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -377.887326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.887326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.887326 (E_RNA)
where:
Base-Base interactions energy: -273.555
where: short stacking energy: -119.836
Base-Backbone interact. energy: -0.010
local terms energy: -104.322286
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -36.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -107.371579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.371579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.371579 (E_RNA)
where:
Base-Base interactions energy: -49.587
where: short stacking energy: -42.199
Base-Backbone interact. energy: 0.872
local terms energy: -58.656142
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -10.680
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: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -107.641566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.641566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.641566 (E_RNA)
where:
Base-Base interactions energy: -37.851
where: short stacking energy: -37.851
Base-Backbone interact. energy: 0.143
local terms energy: -69.933256
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -11.739
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: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -419.485968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.485968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.485968 (E_RNA)
where:
Base-Base interactions energy: -292.942
where: short stacking energy: -123.551
Base-Backbone interact. energy: -0.003
local terms energy: -126.540659
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -413.575703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.575703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.575703 (E_RNA)
where:
Base-Base interactions energy: -296.053
where: short stacking energy: -117.829
Base-Backbone interact. energy: -0.654
local terms energy: -116.868854
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -33.721
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: 195
Temperature: 1.000000
Total energy: -410.893444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.893444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.893444 (E_RNA)
where:
Base-Base interactions energy: -286.661
where: short stacking energy: -116.078
Base-Backbone interact. energy: -0.010
local terms energy: -124.222744
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -37.149
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: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -407.416030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.416030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.416030 (E_RNA)
where:
Base-Base interactions energy: -283.965
where: short stacking energy: -124.888
Base-Backbone interact. energy: -0.583
local terms energy: -122.868255
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -36.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -397.212762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.212762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.212762 (E_RNA)
where:
Base-Base interactions energy: -283.122
where: short stacking energy: -117.046
Base-Backbone interact. energy: -0.337
local terms energy: -113.754076
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -31.923
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: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -398.835181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.835181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.835181 (E_RNA)
where:
Base-Base interactions energy: -290.928
where: short stacking energy: -119.014
Base-Backbone interact. energy: -0.139
local terms energy: -107.768250
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -34.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -381.753633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.753633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.753633 (E_RNA)
where:
Base-Base interactions energy: -266.536
where: short stacking energy: -108.999
Base-Backbone interact. energy: -0.335
local terms energy: -114.882656
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -34.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -375.685042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.685042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.685042 (E_RNA)
where:
Base-Base interactions energy: -286.371
where: short stacking energy: -116.419
Base-Backbone interact. energy: -0.058
local terms energy: -89.255161
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -31.779
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: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -101.422275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.422275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.422275 (E_RNA)
where:
Base-Base interactions energy: -35.546
where: short stacking energy: -35.546
Base-Backbone interact. energy: -0.468
local terms energy: -65.407517
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -1.121
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: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -109.760286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.760286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.760286 (E_RNA)
where:
Base-Base interactions energy: -40.399
where: short stacking energy: -33.798
Base-Backbone interact. energy: -0.201
local terms energy: -69.160231
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: 0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -416.891882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.891882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.891882 (E_RNA)
where:
Base-Base interactions energy: -288.574
where: short stacking energy: -117.987
Base-Backbone interact. energy: -0.077
local terms energy: -128.240060
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -36.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -417.559248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.559248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.559248 (E_RNA)
where:
Base-Base interactions energy: -294.955
where: short stacking energy: -121.538
Base-Backbone interact. energy: -0.253
local terms energy: -122.351551
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -21.933
tors. eta vs tors. theta energy: -36.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -410.879955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.879955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.879955 (E_RNA)
where:
Base-Base interactions energy: -292.916
where: short stacking energy: -121.998
Base-Backbone interact. energy: -0.056
local terms energy: -117.907754
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -35.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -409.510516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.510516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.510516 (E_RNA)
where:
Base-Base interactions energy: -288.721
where: short stacking energy: -116.702
Base-Backbone interact. energy: -0.118
local terms energy: -120.671308
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -35.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -401.716065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.716065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.716065 (E_RNA)
where:
Base-Base interactions energy: -283.217
where: short stacking energy: -116.108
Base-Backbone interact. energy: -0.698
local terms energy: -117.801597
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -37.717
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: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -392.478766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.478766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.478766 (E_RNA)
where:
Base-Base interactions energy: -285.626
where: short stacking energy: -118.251
Base-Backbone interact. energy: -0.603
local terms energy: -106.250127
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -16.480
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: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -380.349885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.349885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.349885 (E_RNA)
where:
Base-Base interactions energy: -275.816
where: short stacking energy: -112.853
Base-Backbone interact. energy: -0.319
local terms energy: -104.215461
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -35.347
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: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -386.010659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.010659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.010659 (E_RNA)
where:
Base-Base interactions energy: -282.930
where: short stacking energy: -115.928
Base-Backbone interact. energy: -0.003
local terms energy: -103.077272
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -36.320
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: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -109.792821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.792821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.792821 (E_RNA)
where:
Base-Base interactions energy: -37.398
where: short stacking energy: -34.427
Base-Backbone interact. energy: -0.300
local terms energy: -72.095532
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -7.179
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: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -113.645158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.645158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.645158 (E_RNA)
where:
Base-Base interactions energy: -44.851
where: short stacking energy: -29.376
Base-Backbone interact. energy: 0.015
local terms energy: -68.808808
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: 3.006
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: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -416.183392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.183392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.183392 (E_RNA)
where:
Base-Base interactions energy: -289.216
where: short stacking energy: -116.407
Base-Backbone interact. energy: 0.430
local terms energy: -127.397455
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -25.197
flat angles P-C4'-P energy: -17.441
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: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -412.836235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.836235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.836235 (E_RNA)
where:
Base-Base interactions energy: -292.225
where: short stacking energy: -121.655
Base-Backbone interact. energy: -0.586
local terms energy: -120.025695
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -36.766
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: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -404.030630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.030630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.030630 (E_RNA)
where:
Base-Base interactions energy: -297.579
where: short stacking energy: -123.396
Base-Backbone interact. energy: 0.091
local terms energy: -106.542860
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -32.734
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: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -406.731329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.731329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.731329 (E_RNA)
where:
Base-Base interactions energy: -287.534
where: short stacking energy: -121.589
Base-Backbone interact. energy: -0.001
local terms energy: -119.195968
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -15.837
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -403.294694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.294694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.294694 (E_RNA)
where:
Base-Base interactions energy: -291.243
where: short stacking energy: -116.904
Base-Backbone interact. energy: -1.095
local terms energy: -110.956815
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -34.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -393.157425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.157425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.157425 (E_RNA)
where:
Base-Base interactions energy: -283.647
where: short stacking energy: -117.467
Base-Backbone interact. energy: -0.015
local terms energy: -109.496000
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -32.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -382.274682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.274682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.274682 (E_RNA)
where:
Base-Base interactions energy: -276.948
where: short stacking energy: -109.618
Base-Backbone interact. energy: -0.218
local terms energy: -105.108840
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -31.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -374.517180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.517180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.517180 (E_RNA)
where:
Base-Base interactions energy: -264.959
where: short stacking energy: -105.387
Base-Backbone interact. energy: 0.252
local terms energy: -109.810678
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -29.354
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: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -104.083382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.083382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.083382 (E_RNA)
where:
Base-Base interactions energy: -37.415
where: short stacking energy: -37.415
Base-Backbone interact. energy: -0.059
local terms energy: -66.608501
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -15.047
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: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -120.657214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.657214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.657214 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -35.111
Base-Backbone interact. energy: -0.250
local terms energy: -84.704622
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -420.481580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.481580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.481580 (E_RNA)
where:
Base-Base interactions energy: -296.590
where: short stacking energy: -121.715
Base-Backbone interact. energy: -0.186
local terms energy: -123.706332
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -37.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -411.601870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.601870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.601870 (E_RNA)
where:
Base-Base interactions energy: -288.924
where: short stacking energy: -115.975
Base-Backbone interact. energy: -0.095
local terms energy: -122.582979
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -33.750
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: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -416.433573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.433573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.433573 (E_RNA)
where:
Base-Base interactions energy: -293.445
where: short stacking energy: -119.796
Base-Backbone interact. energy: 1.870
local terms energy: -124.858542
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -26.746
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -34.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -403.666021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.666021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.666021 (E_RNA)
where:
Base-Base interactions energy: -287.732
where: short stacking energy: -116.226
Base-Backbone interact. energy: -0.504
local terms energy: -115.430077
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -36.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -394.573142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.573142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.573142 (E_RNA)
where:
Base-Base interactions energy: -281.009
where: short stacking energy: -110.893
Base-Backbone interact. energy: -0.750
local terms energy: -112.814790
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -31.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -395.048252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.048252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.048252 (E_RNA)
where:
Base-Base interactions energy: -286.231
where: short stacking energy: -120.206
Base-Backbone interact. energy: -0.156
local terms energy: -108.661242
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -36.117
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: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -383.765723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.765723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.765723 (E_RNA)
where:
Base-Base interactions energy: -277.604
where: short stacking energy: -107.918
Base-Backbone interact. energy: -0.805
local terms energy: -105.356440
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -31.113
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: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -380.555064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.555064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.555064 (E_RNA)
where:
Base-Base interactions energy: -275.590
where: short stacking energy: -116.221
Base-Backbone interact. energy: -0.001
local terms energy: -104.964501
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -31.586
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: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -109.682757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.682757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.682757 (E_RNA)
where:
Base-Base interactions energy: -41.615
where: short stacking energy: -24.364
Base-Backbone interact. energy: -0.124
local terms energy: -67.943985
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -2.570
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: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -105.999195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.999195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.999195 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -27.659
Base-Backbone interact. energy: -0.172
local terms energy: -72.921567
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -26.768
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: 3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -421.257513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.257513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.257513 (E_RNA)
where:
Base-Base interactions energy: -290.705
where: short stacking energy: -121.097
Base-Backbone interact. energy: -0.002
local terms energy: -130.549962
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -37.436
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: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -416.705929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.705929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.705929 (E_RNA)
where:
Base-Base interactions energy: -295.055
where: short stacking energy: -123.990
Base-Backbone interact. energy: -0.001
local terms energy: -121.650066
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -25.217
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -37.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -415.925810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.925810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.925810 (E_RNA)
where:
Base-Base interactions energy: -290.382
where: short stacking energy: -115.764
Base-Backbone interact. energy: -0.172
local terms energy: -125.371714
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -37.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -402.241017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.241017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.241017 (E_RNA)
where:
Base-Base interactions energy: -289.311
where: short stacking energy: -119.657
Base-Backbone interact. energy: -0.032
local terms energy: -112.898341
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -33.840
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: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -401.893596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.893596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.893596 (E_RNA)
where:
Base-Base interactions energy: -288.715
where: short stacking energy: -116.549
Base-Backbone interact. energy: 1.157
local terms energy: -114.334952
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -389.801352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.801352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.801352 (E_RNA)
where:
Base-Base interactions energy: -283.963
where: short stacking energy: -120.099
Base-Backbone interact. energy: -0.042
local terms energy: -105.796190
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -35.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -390.978188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.978188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.978188 (E_RNA)
where:
Base-Base interactions energy: -280.990
where: short stacking energy: -117.228
Base-Backbone interact. energy: -0.353
local terms energy: -109.635696
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -35.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -371.891368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.891368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.891368 (E_RNA)
where:
Base-Base interactions energy: -260.216
where: short stacking energy: -107.229
Base-Backbone interact. energy: -0.263
local terms energy: -111.412166
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -20.118
tors. eta vs tors. theta energy: -32.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -106.332662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.332662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.332662 (E_RNA)
where:
Base-Base interactions energy: -35.532
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.327
local terms energy: -70.473620
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -1.765
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: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -114.963059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.963059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.963059 (E_RNA)
where:
Base-Base interactions energy: -47.534
where: short stacking energy: -46.434
Base-Backbone interact. energy: -0.261
local terms energy: -67.168264
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -7.250
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: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -422.533813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.533813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.533813 (E_RNA)
where:
Base-Base interactions energy: -298.494
where: short stacking energy: -122.960
Base-Backbone interact. energy: -0.492
local terms energy: -123.548465
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -26.783
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -37.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -417.694583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.694583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.694583 (E_RNA)
where:
Base-Base interactions energy: -297.539
where: short stacking energy: -120.972
Base-Backbone interact. energy: -0.290
local terms energy: -119.865916
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -34.994
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: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -405.583360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.583360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.583360 (E_RNA)
where:
Base-Base interactions energy: -289.330
where: short stacking energy: -116.495
Base-Backbone interact. energy: -0.686
local terms energy: -115.568112
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -29.015
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -401.367702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.367702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.367702 (E_RNA)
where:
Base-Base interactions energy: -290.254
where: short stacking energy: -115.988
Base-Backbone interact. energy: -0.003
local terms energy: -111.111092
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -34.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -400.151768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.151768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.151768 (E_RNA)
where:
Base-Base interactions energy: -281.632
where: short stacking energy: -115.326
Base-Backbone interact. energy: -1.007
local terms energy: -117.512634
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -25.566
flat angles P-C4'-P energy: -15.628
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -396.493531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.493531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.493531 (E_RNA)
where:
Base-Base interactions energy: -277.676
where: short stacking energy: -116.900
Base-Backbone interact. energy: -0.656
local terms energy: -118.161698
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -37.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -389.089592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.089592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.089592 (E_RNA)
where:
Base-Base interactions energy: -281.782
where: short stacking energy: -116.509
Base-Backbone interact. energy: -0.302
local terms energy: -107.006136
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -33.721
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: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -377.069407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.069407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.069407 (E_RNA)
where:
Base-Base interactions energy: -268.431
where: short stacking energy: -109.483
Base-Backbone interact. energy: 2.487
local terms energy: -111.125549
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -32.928
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: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -117.417588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.417588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.417588 (E_RNA)
where:
Base-Base interactions energy: -44.484
where: short stacking energy: -43.710
Base-Backbone interact. energy: -0.620
local terms energy: -72.313936
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -20.306
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -105.909586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.909586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.909586 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -31.344
Base-Backbone interact. energy: -0.803
local terms energy: -71.321591
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -419.980770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.980770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.980770 (E_RNA)
where:
Base-Base interactions energy: -290.960
where: short stacking energy: -124.156
Base-Backbone interact. energy: -0.002
local terms energy: -129.018775
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -27.178
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -36.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -417.502450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.502450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.502450 (E_RNA)
where:
Base-Base interactions energy: -303.268
where: short stacking energy: -123.590
Base-Backbone interact. energy: -0.473
local terms energy: -113.761732
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -35.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -409.880054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.880054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.880054 (E_RNA)
where:
Base-Base interactions energy: -292.896
where: short stacking energy: -118.183
Base-Backbone interact. energy: -0.078
local terms energy: -116.906456
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -33.821
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: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -409.085453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.085453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.085453 (E_RNA)
where:
Base-Base interactions energy: -293.006
where: short stacking energy: -120.447
Base-Backbone interact. energy: -0.007
local terms energy: -116.072013
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -32.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -403.706262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.706262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.706262 (E_RNA)
where:
Base-Base interactions energy: -280.956
where: short stacking energy: -112.343
Base-Backbone interact. energy: -1.543
local terms energy: -121.206480
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -30.460
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: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -394.949710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.949710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.949710 (E_RNA)
where:
Base-Base interactions energy: -282.360
where: short stacking energy: -112.051
Base-Backbone interact. energy: -0.538
local terms energy: -112.052196
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -30.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -386.295498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.295498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.295498 (E_RNA)
where:
Base-Base interactions energy: -278.517
where: short stacking energy: -118.538
Base-Backbone interact. energy: -0.008
local terms energy: -107.771105
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -33.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -386.793658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.793658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.793658 (E_RNA)
where:
Base-Base interactions energy: -281.609
where: short stacking energy: -120.051
Base-Backbone interact. energy: 0.179
local terms energy: -105.363826
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -34.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -107.190957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.190957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.190957 (E_RNA)
where:
Base-Base interactions energy: -47.225
where: short stacking energy: -39.106
Base-Backbone interact. energy: -1.221
local terms energy: -58.744837
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -120.090350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.090350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.090350 (E_RNA)
where:
Base-Base interactions energy: -59.344
where: short stacking energy: -54.207
Base-Backbone interact. energy: 2.287
local terms energy: -63.033345
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -424.862740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.862740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.862740 (E_RNA)
where:
Base-Base interactions energy: -303.040
where: short stacking energy: -124.135
Base-Backbone interact. energy: -0.001
local terms energy: -121.821289
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -36.785
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: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -407.384246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.384246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.384246 (E_RNA)
where:
Base-Base interactions energy: -294.168
where: short stacking energy: -120.105
Base-Backbone interact. energy: -0.244
local terms energy: -112.972842
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -34.444
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: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -418.115613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.115613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.115613 (E_RNA)
where:
Base-Base interactions energy: -294.112
where: short stacking energy: -119.372
Base-Backbone interact. energy: 0.046
local terms energy: -124.048713
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -20.855
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: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -410.139141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.139141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.139141 (E_RNA)
where:
Base-Base interactions energy: -289.134
where: short stacking energy: -121.325
Base-Backbone interact. energy: 0.150
local terms energy: -121.155388
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -36.721
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: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -390.958549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.958549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.958549 (E_RNA)
where:
Base-Base interactions energy: -273.771
where: short stacking energy: -109.219
Base-Backbone interact. energy: -0.068
local terms energy: -117.119619
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -33.250
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: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -385.738904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.738904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.738904 (E_RNA)
where:
Base-Base interactions energy: -280.271
where: short stacking energy: -113.788
Base-Backbone interact. energy: -0.492
local terms energy: -104.976219
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -34.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -385.748713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.748713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.748713 (E_RNA)
where:
Base-Base interactions energy: -267.073
where: short stacking energy: -109.897
Base-Backbone interact. energy: -0.291
local terms energy: -118.385366
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -32.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -369.219963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.219963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.219963 (E_RNA)
where:
Base-Base interactions energy: -265.061
where: short stacking energy: -112.422
Base-Backbone interact. energy: -0.067
local terms energy: -104.092335
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -32.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -112.694491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.694491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.694491 (E_RNA)
where:
Base-Base interactions energy: -54.808
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.421
local terms energy: -57.466028
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: 1.243
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: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -104.697646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.697646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.697646 (E_RNA)
where:
Base-Base interactions energy: -36.990
where: short stacking energy: -20.835
Base-Backbone interact. energy: -0.494
local terms energy: -67.213515
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: 0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -419.210133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.210133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.210133 (E_RNA)
where:
Base-Base interactions energy: -292.736
where: short stacking energy: -118.090
Base-Backbone interact. energy: -1.358
local terms energy: -125.116114
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -38.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -416.510498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.510498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.510498 (E_RNA)
where:
Base-Base interactions energy: -293.296
where: short stacking energy: -124.414
Base-Backbone interact. energy: -0.002
local terms energy: -123.212486
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -36.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -412.094266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.094266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.094266 (E_RNA)
where:
Base-Base interactions energy: -289.471
where: short stacking energy: -119.494
Base-Backbone interact. energy: -0.012
local terms energy: -122.612049
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -35.357
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: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -399.779314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.779314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.779314 (E_RNA)
where:
Base-Base interactions energy: -284.840
where: short stacking energy: -116.825
Base-Backbone interact. energy: -0.152
local terms energy: -114.787594
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -32.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -400.845987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.845987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.845987 (E_RNA)
where:
Base-Base interactions energy: -285.128
where: short stacking energy: -113.818
Base-Backbone interact. energy: -0.166
local terms energy: -115.552207
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -34.338
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: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -383.629787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.629787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.629787 (E_RNA)
where:
Base-Base interactions energy: -276.198
where: short stacking energy: -111.059
Base-Backbone interact. energy: -0.640
local terms energy: -106.791718
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -33.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -391.501746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.501746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.501746 (E_RNA)
where:
Base-Base interactions energy: -282.079
where: short stacking energy: -111.716
Base-Backbone interact. energy: -0.581
local terms energy: -108.841828
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -31.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -380.440166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.440166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.440166 (E_RNA)
where:
Base-Base interactions energy: -276.361
where: short stacking energy: -114.232
Base-Backbone interact. energy: -0.004
local terms energy: -104.074426
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -31.607
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: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -134.367766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.367766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.367766 (E_RNA)
where:
Base-Base interactions energy: -63.779
where: short stacking energy: -45.503
Base-Backbone interact. energy: -0.217
local terms energy: -70.371740
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -8.388
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: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -95.452415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.452415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.452415 (E_RNA)
where:
Base-Base interactions energy: -28.741
where: short stacking energy: -28.058
Base-Backbone interact. energy: -0.756
local terms energy: -65.955273
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -421.963296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.963296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.963296 (E_RNA)
where:
Base-Base interactions energy: -291.091
where: short stacking energy: -117.473
Base-Backbone interact. energy: -0.360
local terms energy: -130.511956
where:
bonds (distance) C4'-P energy: -25.913
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -18.977
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: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -414.120831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.120831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.120831 (E_RNA)
where:
Base-Base interactions energy: -304.948
where: short stacking energy: -128.095
Base-Backbone interact. energy: -0.004
local terms energy: -109.168098
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -37.427
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: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -410.973178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.973178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.973178 (E_RNA)
where:
Base-Base interactions energy: -289.109
where: short stacking energy: -111.641
Base-Backbone interact. energy: -0.751
local terms energy: -121.112649
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -35.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -403.888251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.888251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.888251 (E_RNA)
where:
Base-Base interactions energy: -285.045
where: short stacking energy: -119.326
Base-Backbone interact. energy: -0.560
local terms energy: -118.283713
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -33.935
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: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -400.829808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.829808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.829808 (E_RNA)
where:
Base-Base interactions energy: -290.223
where: short stacking energy: -117.546
Base-Backbone interact. energy: -0.592
local terms energy: -110.015409
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -31.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -381.029113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.029113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.029113 (E_RNA)
where:
Base-Base interactions energy: -275.156
where: short stacking energy: -114.965
Base-Backbone interact. energy: -0.026
local terms energy: -105.847509
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -33.881
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: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -380.826062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.826062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.826062 (E_RNA)
where:
Base-Base interactions energy: -268.238
where: short stacking energy: -111.332
Base-Backbone interact. energy: -0.103
local terms energy: -112.485438
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -33.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -376.869832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.869832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.869832 (E_RNA)
where:
Base-Base interactions energy: -272.366
where: short stacking energy: -105.941
Base-Backbone interact. energy: 0.227
local terms energy: -104.731148
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -29.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -122.349524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.349524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.349524 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -36.753
Base-Backbone interact. energy: -0.331
local terms energy: -75.873838
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -96.695341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.695341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.695341 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -33.119
Base-Backbone interact. energy: -0.801
local terms energy: -62.044860
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -7.624
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: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -413.394455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.394455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.394455 (E_RNA)
where:
Base-Base interactions energy: -287.891
where: short stacking energy: -113.627
Base-Backbone interact. energy: -0.118
local terms energy: -125.385801
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -25.978
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -35.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -412.040223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.040223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.040223 (E_RNA)
where:
Base-Base interactions energy: -292.067
where: short stacking energy: -120.864
Base-Backbone interact. energy: -0.241
local terms energy: -119.731837
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -35.045
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: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -415.274611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.274611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.274611 (E_RNA)
where:
Base-Base interactions energy: -297.292
where: short stacking energy: -117.736
Base-Backbone interact. energy: 1.737
local terms energy: -119.719682
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -34.966
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: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -407.328200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.328200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.328200 (E_RNA)
where:
Base-Base interactions energy: -291.835
where: short stacking energy: -121.040
Base-Backbone interact. energy: -0.039
local terms energy: -115.453885
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -32.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -407.069782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.069782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.069782 (E_RNA)
where:
Base-Base interactions energy: -290.918
where: short stacking energy: -115.735
Base-Backbone interact. energy: -0.027
local terms energy: -116.125368
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -35.261
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: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -392.752162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.752162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.752162 (E_RNA)
where:
Base-Base interactions energy: -289.531
where: short stacking energy: -116.578
Base-Backbone interact. energy: -0.004
local terms energy: -103.217809
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -34.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -371.817730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.817730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.817730 (E_RNA)
where:
Base-Base interactions energy: -272.500
where: short stacking energy: -106.670
Base-Backbone interact. energy: -0.048
local terms energy: -99.269921
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -33.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -380.006100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.006100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.006100 (E_RNA)
where:
Base-Base interactions energy: -279.342
where: short stacking energy: -115.846
Base-Backbone interact. energy: -0.056
local terms energy: -100.608391
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -35.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -121.488067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.488067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.488067 (E_RNA)
where:
Base-Base interactions energy: -54.561
where: short stacking energy: -40.184
Base-Backbone interact. energy: -0.914
local terms energy: -66.013091
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -100.762033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.762033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.762033 (E_RNA)
where:
Base-Base interactions energy: -45.174
where: short stacking energy: -21.042
Base-Backbone interact. energy: -0.127
local terms energy: -55.461254
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -4.825
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: 206
Temperature: 0.900000
Total energy: -416.502288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.502288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.502288 (E_RNA)
where:
Base-Base interactions energy: -293.491
where: short stacking energy: -123.604
Base-Backbone interact. energy: -0.271
local terms energy: -122.739897
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -36.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -413.016820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.016820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.016820 (E_RNA)
where:
Base-Base interactions energy: -293.190
where: short stacking energy: -124.614
Base-Backbone interact. energy: -0.083
local terms energy: -119.744521
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -34.303
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: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -410.658647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.658647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.658647 (E_RNA)
where:
Base-Base interactions energy: -294.708
where: short stacking energy: -117.129
Base-Backbone interact. energy: -0.282
local terms energy: -115.668291
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -402.567942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.567942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.567942 (E_RNA)
where:
Base-Base interactions energy: -284.451
where: short stacking energy: -113.720
Base-Backbone interact. energy: -0.138
local terms energy: -117.978849
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -33.029
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: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -403.096665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.096665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.096665 (E_RNA)
where:
Base-Base interactions energy: -289.482
where: short stacking energy: -115.199
Base-Backbone interact. energy: -0.566
local terms energy: -113.048594
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -32.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -398.981509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.981509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.981509 (E_RNA)
where:
Base-Base interactions energy: -277.345
where: short stacking energy: -107.705
Base-Backbone interact. energy: -0.002
local terms energy: -121.634392
where:
bonds (distance) C4'-P energy: -23.350
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -16.385
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: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -384.274206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.274206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.274206 (E_RNA)
where:
Base-Base interactions energy: -270.974
where: short stacking energy: -105.435
Base-Backbone interact. energy: -0.240
local terms energy: -113.060744
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -34.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -399.512868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.512868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.512868 (E_RNA)
where:
Base-Base interactions energy: -282.414
where: short stacking energy: -114.459
Base-Backbone interact. energy: -0.008
local terms energy: -117.090722
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -36.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -112.005809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.005809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.005809 (E_RNA)
where:
Base-Base interactions energy: -43.163
where: short stacking energy: -35.190
Base-Backbone interact. energy: -0.655
local terms energy: -68.188255
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: 1.651
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: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -111.693787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.693787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.693787 (E_RNA)
where:
Base-Base interactions energy: -31.537
where: short stacking energy: -27.827
Base-Backbone interact. energy: -0.318
local terms energy: -79.838463
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -419.690614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.690614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.690614 (E_RNA)
where:
Base-Base interactions energy: -295.737
where: short stacking energy: -123.951
Base-Backbone interact. energy: 0.146
local terms energy: -124.099855
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -35.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -412.027708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.027708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.027708 (E_RNA)
where:
Base-Base interactions energy: -284.318
where: short stacking energy: -115.780
Base-Backbone interact. energy: -0.320
local terms energy: -127.389543
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -36.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -416.007062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.007062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.007062 (E_RNA)
where:
Base-Base interactions energy: -292.162
where: short stacking energy: -123.878
Base-Backbone interact. energy: -0.481
local terms energy: -123.364213
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -37.854
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: 207
Temperature: 1.050000
Total energy: -396.346031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.346031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.346031 (E_RNA)
where:
Base-Base interactions energy: -274.598
where: short stacking energy: -107.861
Base-Backbone interact. energy: -0.351
local terms energy: -121.397521
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -25.466
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -31.399
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: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -405.636304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.636304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.636304 (E_RNA)
where:
Base-Base interactions energy: -292.192
where: short stacking energy: -112.568
Base-Backbone interact. energy: -0.165
local terms energy: -113.279263
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -11.218
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: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -401.123381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.123381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.123381 (E_RNA)
where:
Base-Base interactions energy: -286.428
where: short stacking energy: -120.483
Base-Backbone interact. energy: -0.282
local terms energy: -114.414116
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -37.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -387.567972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.567972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.567972 (E_RNA)
where:
Base-Base interactions energy: -272.567
where: short stacking energy: -108.590
Base-Backbone interact. energy: 0.991
local terms energy: -115.991308
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -33.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -387.364800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.364800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.364800 (E_RNA)
where:
Base-Base interactions energy: -268.043
where: short stacking energy: -104.943
Base-Backbone interact. energy: -0.519
local terms energy: -118.802777
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -35.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -109.069062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.069062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.069062 (E_RNA)
where:
Base-Base interactions energy: -41.719
where: short stacking energy: -27.703
Base-Backbone interact. energy: -0.362
local terms energy: -66.987397
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: 3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -128.059394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.059394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.059394 (E_RNA)
where:
Base-Base interactions energy: -63.020
where: short stacking energy: -45.029
Base-Backbone interact. energy: -0.055
local terms energy: -64.984353
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.286
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: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -424.015037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.015037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.015037 (E_RNA)
where:
Base-Base interactions energy: -295.144
where: short stacking energy: -120.825
Base-Backbone interact. energy: -1.170
local terms energy: -127.701475
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -36.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -411.392858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.392858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.392858 (E_RNA)
where:
Base-Base interactions energy: -297.036
where: short stacking energy: -119.010
Base-Backbone interact. energy: -1.070
local terms energy: -113.286886
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -15.670
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -412.331528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.331528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.331528 (E_RNA)
where:
Base-Base interactions energy: -287.309
where: short stacking energy: -122.421
Base-Backbone interact. energy: -0.001
local terms energy: -125.022205
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -38.407
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: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -414.738126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.738126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.738126 (E_RNA)
where:
Base-Base interactions energy: -291.271
where: short stacking energy: -118.145
Base-Backbone interact. energy: -0.001
local terms energy: -123.466249
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -38.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -395.227102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.227102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.227102 (E_RNA)
where:
Base-Base interactions energy: -282.766
where: short stacking energy: -114.501
Base-Backbone interact. energy: -0.003
local terms energy: -112.457586
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -36.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -399.069632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.069632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.069632 (E_RNA)
where:
Base-Base interactions energy: -278.883
where: short stacking energy: -109.825
Base-Backbone interact. energy: -0.003
local terms energy: -120.184196
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -34.383
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -379.099464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.099464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.099464 (E_RNA)
where:
Base-Base interactions energy: -278.002
where: short stacking energy: -116.618
Base-Backbone interact. energy: -0.125
local terms energy: -100.972048
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -32.553
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: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -384.022170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.022170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.022170 (E_RNA)
where:
Base-Base interactions energy: -265.143
where: short stacking energy: -102.708
Base-Backbone interact. energy: -0.004
local terms energy: -118.875490
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -33.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -117.384415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.384415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.384415 (E_RNA)
where:
Base-Base interactions energy: -50.883
where: short stacking energy: -20.916
Base-Backbone interact. energy: -0.372
local terms energy: -66.128999
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: 6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -107.510810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.510810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.510810 (E_RNA)
where:
Base-Base interactions energy: -38.600
where: short stacking energy: -37.982
Base-Backbone interact. energy: 4.059
local terms energy: -72.969338
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -5.404
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: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -417.688078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.688078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.688078 (E_RNA)
where:
Base-Base interactions energy: -293.836
where: short stacking energy: -117.308
Base-Backbone interact. energy: -0.210
local terms energy: -123.642264
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -36.990
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: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -413.718608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.718608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.718608 (E_RNA)
where:
Base-Base interactions energy: -293.416
where: short stacking energy: -125.024
Base-Backbone interact. energy: -0.003
local terms energy: -120.299269
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -36.553
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: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -409.307659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.307659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.307659 (E_RNA)
where:
Base-Base interactions energy: -295.275
where: short stacking energy: -123.394
Base-Backbone interact. energy: -0.122
local terms energy: -113.910449
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -35.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -407.277782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.277782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.277782 (E_RNA)
where:
Base-Base interactions energy: -287.336
where: short stacking energy: -113.841
Base-Backbone interact. energy: -0.793
local terms energy: -119.148155
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -32.913
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: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -402.718497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.718497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.718497 (E_RNA)
where:
Base-Base interactions energy: -287.557
where: short stacking energy: -114.753
Base-Backbone interact. energy: -0.061
local terms energy: -115.100617
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -33.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -395.255947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.255947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.255947 (E_RNA)
where:
Base-Base interactions energy: -277.269
where: short stacking energy: -108.188
Base-Backbone interact. energy: -0.778
local terms energy: -117.209188
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -26.996
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -31.494
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: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -386.153823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.153823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.153823 (E_RNA)
where:
Base-Base interactions energy: -275.107
where: short stacking energy: -107.780
Base-Backbone interact. energy: -0.085
local terms energy: -110.961668
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -33.315
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: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -387.433872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.433872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.433872 (E_RNA)
where:
Base-Base interactions energy: -276.015
where: short stacking energy: -105.054
Base-Backbone interact. energy: -0.858
local terms energy: -110.561745
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -26.279
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -32.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -113.251147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.251147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.251147 (E_RNA)
where:
Base-Base interactions energy: -50.124
where: short stacking energy: -36.850
Base-Backbone interact. energy: -0.435
local terms energy: -62.692382
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: 4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -104.442556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.442556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.442556 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -29.938
Base-Backbone interact. energy: -0.217
local terms energy: -65.790121
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -1.579
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: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -421.160792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.160792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.160792 (E_RNA)
where:
Base-Base interactions energy: -295.233
where: short stacking energy: -121.718
Base-Backbone interact. energy: -0.583
local terms energy: -125.344956
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -36.869
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: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -414.738242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.738242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.738242 (E_RNA)
where:
Base-Base interactions energy: -290.655
where: short stacking energy: -124.087
Base-Backbone interact. energy: -0.002
local terms energy: -124.080984
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -35.919
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: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -410.591099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.591099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.591099 (E_RNA)
where:
Base-Base interactions energy: -290.649
where: short stacking energy: -124.924
Base-Backbone interact. energy: 0.194
local terms energy: -120.136491
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -34.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -400.453104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.453104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.453104 (E_RNA)
where:
Base-Base interactions energy: -285.454
where: short stacking energy: -123.878
Base-Backbone interact. energy: -0.240
local terms energy: -114.758918
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -37.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -395.987862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.987862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.987862 (E_RNA)
where:
Base-Base interactions energy: -279.809
where: short stacking energy: -116.866
Base-Backbone interact. energy: -0.012
local terms energy: -116.167214
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -34.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -394.761356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.761356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.761356 (E_RNA)
where:
Base-Base interactions energy: -286.610
where: short stacking energy: -116.300
Base-Backbone interact. energy: 0.258
local terms energy: -108.408933
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -33.492
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: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -388.175454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.175454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.175454 (E_RNA)
where:
Base-Base interactions energy: -272.861
where: short stacking energy: -108.560
Base-Backbone interact. energy: -0.001
local terms energy: -115.313811
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -34.428
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: 210
Temperature: 1.250000
Total energy: -365.618567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.618567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.618567 (E_RNA)
where:
Base-Base interactions energy: -262.837
where: short stacking energy: -117.426
Base-Backbone interact. energy: -0.014
local terms energy: -102.767916
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -34.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -113.422481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.422481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.422481 (E_RNA)
where:
Base-Base interactions energy: -52.329
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.772
local terms energy: -60.321521
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -110.763819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.763819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.763819 (E_RNA)
where:
Base-Base interactions energy: -47.969
where: short stacking energy: -43.151
Base-Backbone interact. energy: 0.500
local terms energy: -63.295436
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -422.799784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.799784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.799784 (E_RNA)
where:
Base-Base interactions energy: -289.538
where: short stacking energy: -116.939
Base-Backbone interact. energy: -0.289
local terms energy: -132.972212
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -34.564
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: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -410.524908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.524908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.524908 (E_RNA)
where:
Base-Base interactions energy: -293.685
where: short stacking energy: -122.539
Base-Backbone interact. energy: -0.004
local terms energy: -116.835951
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -33.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -409.180813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.180813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.180813 (E_RNA)
where:
Base-Base interactions energy: -282.946
where: short stacking energy: -112.728
Base-Backbone interact. energy: -0.280
local terms energy: -125.954949
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -37.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -408.766638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.766638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.766638 (E_RNA)
where:
Base-Base interactions energy: -292.567
where: short stacking energy: -122.842
Base-Backbone interact. energy: -0.946
local terms energy: -115.253575
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -33.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -404.902425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.902425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.902425 (E_RNA)
where:
Base-Base interactions energy: -290.263
where: short stacking energy: -119.452
Base-Backbone interact. energy: -0.728
local terms energy: -113.910851
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -36.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -368.598043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.598043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.598043 (E_RNA)
where:
Base-Base interactions energy: -270.437
where: short stacking energy: -109.255
Base-Backbone interact. energy: -0.107
local terms energy: -98.054010
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -29.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -383.432901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.432901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.432901 (E_RNA)
where:
Base-Base interactions energy: -277.430
where: short stacking energy: -112.373
Base-Backbone interact. energy: -0.005
local terms energy: -105.998159
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -35.113
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: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -376.492271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.492271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.492271 (E_RNA)
where:
Base-Base interactions energy: -277.058
where: short stacking energy: -113.998
Base-Backbone interact. energy: -0.175
local terms energy: -99.259502
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -31.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -126.713642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.713642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.713642 (E_RNA)
where:
Base-Base interactions energy: -51.234
where: short stacking energy: -41.317
Base-Backbone interact. energy: 0.595
local terms energy: -76.073844
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -11.225
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: 10, replica: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -115.780086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.780086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.780086 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -34.649
Base-Backbone interact. energy: 0.473
local terms energy: -78.525643
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -21.668
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -6.399
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: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -419.102480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.102480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.102480 (E_RNA)
where:
Base-Base interactions energy: -295.512
where: short stacking energy: -122.272
Base-Backbone interact. energy: -0.001
local terms energy: -123.589811
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -17.707
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -412.105770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.105770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.105770 (E_RNA)
where:
Base-Base interactions energy: -298.022
where: short stacking energy: -121.918
Base-Backbone interact. energy: -0.051
local terms energy: -114.032124
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -32.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -415.963847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.963847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.963847 (E_RNA)
where:
Base-Base interactions energy: -293.900
where: short stacking energy: -120.994
Base-Backbone interact. energy: -0.404
local terms energy: -121.660071
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -38.188
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: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -404.168816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.168816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.168816 (E_RNA)
where:
Base-Base interactions energy: -285.344
where: short stacking energy: -118.042
Base-Backbone interact. energy: -0.422
local terms energy: -118.403483
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -33.880
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: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -401.154002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.154002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.154002 (E_RNA)
where:
Base-Base interactions energy: -281.200
where: short stacking energy: -113.373
Base-Backbone interact. energy: -0.623
local terms energy: -119.331346
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -35.179
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: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -385.995097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.995097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.995097 (E_RNA)
where:
Base-Base interactions energy: -269.667
where: short stacking energy: -112.409
Base-Backbone interact. energy: -0.021
local terms energy: -116.306782
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -17.534
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: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -380.905896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.905896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.905896 (E_RNA)
where:
Base-Base interactions energy: -278.234
where: short stacking energy: -107.526
Base-Backbone interact. energy: -0.159
local terms energy: -102.513378
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -28.378
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -380.832609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.832609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.832609 (E_RNA)
where:
Base-Base interactions energy: -275.392
where: short stacking energy: -111.183
Base-Backbone interact. energy: -0.447
local terms energy: -104.993281
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -32.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -114.517895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.517895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.517895 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.256
local terms energy: -77.846286
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -117.809540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.809540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.809540 (E_RNA)
where:
Base-Base interactions energy: -52.732
where: short stacking energy: -31.364
Base-Backbone interact. energy: -0.352
local terms energy: -64.725422
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -10.818
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: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -423.024736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.024736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.024736 (E_RNA)
where:
Base-Base interactions energy: -296.730
where: short stacking energy: -125.256
Base-Backbone interact. energy: -0.001
local terms energy: -126.293834
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -36.119
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -414.282609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.282609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.282609 (E_RNA)
where:
Base-Base interactions energy: -289.205
where: short stacking energy: -121.413
Base-Backbone interact. energy: -0.005
local terms energy: -125.072995
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -37.169
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: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -413.809685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.809685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.809685 (E_RNA)
where:
Base-Base interactions energy: -300.464
where: short stacking energy: -124.753
Base-Backbone interact. energy: -0.002
local terms energy: -113.343902
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -34.612
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: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -407.238590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.238590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.238590 (E_RNA)
where:
Base-Base interactions energy: -292.190
where: short stacking energy: -123.909
Base-Backbone interact. energy: -0.202
local terms energy: -114.846745
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -36.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -397.154324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.154324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.154324 (E_RNA)
where:
Base-Base interactions energy: -284.511
where: short stacking energy: -115.230
Base-Backbone interact. energy: -0.359
local terms energy: -112.284361
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -37.507
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: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -397.986882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.986882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.986882 (E_RNA)
where:
Base-Base interactions energy: -283.638
where: short stacking energy: -119.579
Base-Backbone interact. energy: -0.000
local terms energy: -114.348401
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -35.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -380.423578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.423578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.423578 (E_RNA)
where:
Base-Base interactions energy: -274.592
where: short stacking energy: -108.140
Base-Backbone interact. energy: 0.473
local terms energy: -106.304562
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -17.044
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: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -376.919965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.919965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.919965 (E_RNA)
where:
Base-Base interactions energy: -262.049
where: short stacking energy: -103.943
Base-Backbone interact. energy: -0.190
local terms energy: -114.680949
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -31.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -117.409229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.409229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.409229 (E_RNA)
where:
Base-Base interactions energy: -35.965
where: short stacking energy: -35.965
Base-Backbone interact. energy: -0.240
local terms energy: -81.203790
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -8.668
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: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -110.136612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.136612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.136612 (E_RNA)
where:
Base-Base interactions energy: -41.225
where: short stacking energy: -27.925
Base-Backbone interact. energy: -0.516
local terms energy: -68.395608
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: 0.811
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: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -421.340706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.340706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.340706 (E_RNA)
where:
Base-Base interactions energy: -294.034
where: short stacking energy: -118.302
Base-Backbone interact. energy: -0.781
local terms energy: -126.525619
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -34.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -420.890965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.890965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.890965 (E_RNA)
where:
Base-Base interactions energy: -299.821
where: short stacking energy: -123.729
Base-Backbone interact. energy: -0.927
local terms energy: -120.142720
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -37.527
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: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -410.332534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.332534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.332534 (E_RNA)
where:
Base-Base interactions energy: -289.396
where: short stacking energy: -116.296
Base-Backbone interact. energy: -0.073
local terms energy: -120.863903
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -26.270
flat angles P-C4'-P energy: -19.572
tors. eta vs tors. theta energy: -36.285
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: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -399.668458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.668458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.668458 (E_RNA)
where:
Base-Base interactions energy: -288.273
where: short stacking energy: -120.931
Base-Backbone interact. energy: -0.159
local terms energy: -111.236552
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -35.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -391.482724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.482724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.482724 (E_RNA)
where:
Base-Base interactions energy: -280.735
where: short stacking energy: -107.827
Base-Backbone interact. energy: -2.003
local terms energy: -108.744438
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -31.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -397.468522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.468522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.468522 (E_RNA)
where:
Base-Base interactions energy: -278.564
where: short stacking energy: -118.986
Base-Backbone interact. energy: -0.732
local terms energy: -118.172572
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -34.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -391.179965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.179965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.179965 (E_RNA)
where:
Base-Base interactions energy: -282.144
where: short stacking energy: -116.884
Base-Backbone interact. energy: -0.340
local terms energy: -108.695618
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -33.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -381.827531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.827531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.827531 (E_RNA)
where:
Base-Base interactions energy: -272.374
where: short stacking energy: -110.562
Base-Backbone interact. energy: -0.029
local terms energy: -109.424312
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -31.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -107.883879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.883879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.883879 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -34.687
Base-Backbone interact. energy: -0.066
local terms energy: -73.130806
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -110.224552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.224552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.224552 (E_RNA)
where:
Base-Base interactions energy: -42.777
where: short stacking energy: -37.874
Base-Backbone interact. energy: -0.902
local terms energy: -66.545344
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -1.799
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: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -418.781357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.781357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.781357 (E_RNA)
where:
Base-Base interactions energy: -296.850
where: short stacking energy: -119.554
Base-Backbone interact. energy: -0.423
local terms energy: -121.508774
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -35.102
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: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -418.162873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.162873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.162873 (E_RNA)
where:
Base-Base interactions energy: -292.827
where: short stacking energy: -121.572
Base-Backbone interact. energy: -0.006
local terms energy: -125.330233
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -36.870
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: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -413.638266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.638266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.638266 (E_RNA)
where:
Base-Base interactions energy: -291.810
where: short stacking energy: -118.326
Base-Backbone interact. energy: -0.669
local terms energy: -121.159448
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -36.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -405.820009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.820009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.820009 (E_RNA)
where:
Base-Base interactions energy: -292.302
where: short stacking energy: -118.635
Base-Backbone interact. energy: -0.002
local terms energy: -113.516142
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -35.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -408.200429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.200429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.200429 (E_RNA)
where:
Base-Base interactions energy: -290.225
where: short stacking energy: -123.157
Base-Backbone interact. energy: -0.021
local terms energy: -117.955297
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -38.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -380.630031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.630031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.630031 (E_RNA)
where:
Base-Base interactions energy: -277.586
where: short stacking energy: -112.244
Base-Backbone interact. energy: -0.621
local terms energy: -102.423331
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -32.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -379.652629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.652629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.652629 (E_RNA)
where:
Base-Base interactions energy: -268.823
where: short stacking energy: -106.315
Base-Backbone interact. energy: -0.102
local terms energy: -110.727448
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -30.260
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: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -388.949243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.949243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.949243 (E_RNA)
where:
Base-Base interactions energy: -278.301
where: short stacking energy: -115.858
Base-Backbone interact. energy: -0.002
local terms energy: -110.646278
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -33.635
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -112.514407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.514407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.514407 (E_RNA)
where:
Base-Base interactions energy: -49.008
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.186
local terms energy: -63.320202
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -108.250604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.250604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.250604 (E_RNA)
where:
Base-Base interactions energy: -36.069
where: short stacking energy: -38.690
Base-Backbone interact. energy: 0.506
local terms energy: -72.687192
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -1.654
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: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -422.590779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.590779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.590779 (E_RNA)
where:
Base-Base interactions energy: -300.347
where: short stacking energy: -122.308
Base-Backbone interact. energy: -0.043
local terms energy: -122.200305
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -37.103
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: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -415.555729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.555729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.555729 (E_RNA)
where:
Base-Base interactions energy: -289.070
where: short stacking energy: -120.086
Base-Backbone interact. energy: -0.858
local terms energy: -125.627614
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -37.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -406.687590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.687590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.687590 (E_RNA)
where:
Base-Base interactions energy: -290.580
where: short stacking energy: -117.456
Base-Backbone interact. energy: -0.001
local terms energy: -116.106927
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -38.048
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: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -404.064969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.064969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.064969 (E_RNA)
where:
Base-Base interactions energy: -291.353
where: short stacking energy: -117.052
Base-Backbone interact. energy: -0.029
local terms energy: -112.683141
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -30.428
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: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -396.287536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.287536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.287536 (E_RNA)
where:
Base-Base interactions energy: -281.252
where: short stacking energy: -117.124
Base-Backbone interact. energy: -0.523
local terms energy: -114.512441
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -27.613
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -31.318
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: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -396.151770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.151770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.151770 (E_RNA)
where:
Base-Base interactions energy: -284.151
where: short stacking energy: -110.540
Base-Backbone interact. energy: -0.013
local terms energy: -111.988433
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -34.157
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: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -391.805720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.805720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.805720 (E_RNA)
where:
Base-Base interactions energy: -282.792
where: short stacking energy: -114.605
Base-Backbone interact. energy: -0.003
local terms energy: -109.010233
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -31.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -358.754794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.754794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.754794 (E_RNA)
where:
Base-Base interactions energy: -260.090
where: short stacking energy: -105.208
Base-Backbone interact. energy: -0.003
local terms energy: -98.662494
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -28.859
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: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -124.847159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.847159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.847159 (E_RNA)
where:
Base-Base interactions energy: -48.793
where: short stacking energy: -44.575
Base-Backbone interact. energy: -0.591
local terms energy: -75.463138
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -10.503
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -112.755756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.755756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.755756 (E_RNA)
where:
Base-Base interactions energy: -54.282
where: short stacking energy: -29.143
Base-Backbone interact. energy: 0.237
local terms energy: -58.710818
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: 4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -420.309125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.309125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.309125 (E_RNA)
where:
Base-Base interactions energy: -294.097
where: short stacking energy: -124.273
Base-Backbone interact. energy: -0.626
local terms energy: -125.586044
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -38.351
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: 217
Temperature: 0.950000
Total energy: -417.419587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.419587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.419587 (E_RNA)
where:
Base-Base interactions energy: -298.516
where: short stacking energy: -121.847
Base-Backbone interact. energy: -0.216
local terms energy: -118.687070
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -14.277
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: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -408.768029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.768029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.768029 (E_RNA)
where:
Base-Base interactions energy: -292.452
where: short stacking energy: -118.167
Base-Backbone interact. energy: -0.240
local terms energy: -116.075739
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -33.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -398.883838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.883838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.883838 (E_RNA)
where:
Base-Base interactions energy: -279.662
where: short stacking energy: -109.711
Base-Backbone interact. energy: -0.235
local terms energy: -118.987500
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -32.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -394.060403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.060403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.060403 (E_RNA)
where:
Base-Base interactions energy: -281.572
where: short stacking energy: -115.992
Base-Backbone interact. energy: -0.324
local terms energy: -112.164800
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -36.270
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: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -391.491811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.491811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.491811 (E_RNA)
where:
Base-Base interactions energy: -283.600
where: short stacking energy: -108.225
Base-Backbone interact. energy: -0.485
local terms energy: -107.406732
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -29.708
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: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -393.026430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.026430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.026430 (E_RNA)
where:
Base-Base interactions energy: -287.485
where: short stacking energy: -117.020
Base-Backbone interact. energy: 0.049
local terms energy: -105.590397
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -31.092
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: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -375.526002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.526002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.526002 (E_RNA)
where:
Base-Base interactions energy: -262.805
where: short stacking energy: -108.803
Base-Backbone interact. energy: -0.613
local terms energy: -112.108224
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -31.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -115.278443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.278443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.278443 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -38.141
Base-Backbone interact. energy: -0.230
local terms energy: -72.020557
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -113.052027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.052027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.052027 (E_RNA)
where:
Base-Base interactions energy: -48.163
where: short stacking energy: -20.773
Base-Backbone interact. energy: -1.105
local terms energy: -63.783555
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: 3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -421.699320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.699320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.699320 (E_RNA)
where:
Base-Base interactions energy: -300.802
where: short stacking energy: -121.389
Base-Backbone interact. energy: -0.150
local terms energy: -120.747627
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -26.138
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -36.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -416.020083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.020083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.020083 (E_RNA)
where:
Base-Base interactions energy: -289.689
where: short stacking energy: -118.162
Base-Backbone interact. energy: -0.669
local terms energy: -125.662037
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -36.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -409.597721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.597721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.597721 (E_RNA)
where:
Base-Base interactions energy: -283.770
where: short stacking energy: -117.532
Base-Backbone interact. energy: -0.004
local terms energy: -125.823946
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -35.602
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: 218
Temperature: 1.050000
Total energy: -407.225674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.225674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.225674 (E_RNA)
where:
Base-Base interactions energy: -281.296
where: short stacking energy: -110.313
Base-Backbone interact. energy: 0.837
local terms energy: -126.765951
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -34.643
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: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -399.555963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.555963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.555963 (E_RNA)
where:
Base-Base interactions energy: -279.558
where: short stacking energy: -117.342
Base-Backbone interact. energy: -1.019
local terms energy: -118.979097
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -19.177
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: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -386.444046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.444046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.444046 (E_RNA)
where:
Base-Base interactions energy: -273.723
where: short stacking energy: -113.462
Base-Backbone interact. energy: -0.001
local terms energy: -112.719855
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -34.073
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -390.685327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.685327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.685327 (E_RNA)
where:
Base-Base interactions energy: -282.083
where: short stacking energy: -109.287
Base-Backbone interact. energy: -0.010
local terms energy: -108.592101
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -33.882
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: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -338.243139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.243139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.243139 (E_RNA)
where:
Base-Base interactions energy: -236.268
where: short stacking energy: -97.384
Base-Backbone interact. energy: -0.003
local terms energy: -101.972249
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -27.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -133.722135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.722135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.722135 (E_RNA)
where:
Base-Base interactions energy: -65.613
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.681
local terms energy: -67.428358
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -104.047002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.047002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.047002 (E_RNA)
where:
Base-Base interactions energy: -35.730
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.102
local terms energy: -68.215048
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -421.461536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.461536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.461536 (E_RNA)
where:
Base-Base interactions energy: -298.804
where: short stacking energy: -121.491
Base-Backbone interact. energy: -0.293
local terms energy: -122.365170
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -34.867
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: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -420.439366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.439366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.439366 (E_RNA)
where:
Base-Base interactions energy: -289.716
where: short stacking energy: -119.048
Base-Backbone interact. energy: -0.001
local terms energy: -130.722473
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -38.336
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: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -405.306822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.306822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.306822 (E_RNA)
where:
Base-Base interactions energy: -289.301
where: short stacking energy: -118.869
Base-Backbone interact. energy: -0.985
local terms energy: -115.021089
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -33.147
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: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -412.065279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.065279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.065279 (E_RNA)
where:
Base-Base interactions energy: -289.910
where: short stacking energy: -118.310
Base-Backbone interact. energy: 1.096
local terms energy: -123.250816
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -37.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -405.840318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.840318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.840318 (E_RNA)
where:
Base-Base interactions energy: -285.842
where: short stacking energy: -122.472
Base-Backbone interact. energy: -0.006
local terms energy: -119.992549
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -35.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -389.117202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.117202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.117202 (E_RNA)
where:
Base-Base interactions energy: -280.443
where: short stacking energy: -113.951
Base-Backbone interact. energy: -0.019
local terms energy: -108.654975
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -29.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -390.766836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.766836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.766836 (E_RNA)
where:
Base-Base interactions energy: -275.613
where: short stacking energy: -112.505
Base-Backbone interact. energy: -0.007
local terms energy: -115.147230
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -35.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -347.274573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.274573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.274573 (E_RNA)
where:
Base-Base interactions energy: -247.833
where: short stacking energy: -99.124
Base-Backbone interact. energy: -0.253
local terms energy: -99.188900
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -27.511
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: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -125.337572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.337572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.337572 (E_RNA)
where:
Base-Base interactions energy: -61.494
where: short stacking energy: -35.314
Base-Backbone interact. energy: 0.832
local terms energy: -64.676046
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -0.321
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: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -111.663894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.663894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.663894 (E_RNA)
where:
Base-Base interactions energy: -43.496
where: short stacking energy: -40.021
Base-Backbone interact. energy: -0.370
local terms energy: -67.797534
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -9.391
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: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -422.594293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.594293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.594293 (E_RNA)
where:
Base-Base interactions energy: -298.388
where: short stacking energy: -121.606
Base-Backbone interact. energy: -0.001
local terms energy: -124.205911
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -23.594
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -37.527
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -421.854132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.854132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.854132 (E_RNA)
where:
Base-Base interactions energy: -301.499
where: short stacking energy: -121.030
Base-Backbone interact. energy: -0.163
local terms energy: -120.192444
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -34.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -419.388620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.388620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.388620 (E_RNA)
where:
Base-Base interactions energy: -297.770
where: short stacking energy: -123.246
Base-Backbone interact. energy: -0.240
local terms energy: -121.378468
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -36.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -409.272668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.272668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.272668 (E_RNA)
where:
Base-Base interactions energy: -289.918
where: short stacking energy: -128.786
Base-Backbone interact. energy: -0.291
local terms energy: -119.063637
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -34.872
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: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -406.226823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.226823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.226823 (E_RNA)
where:
Base-Base interactions energy: -284.132
where: short stacking energy: -121.849
Base-Backbone interact. energy: -0.529
local terms energy: -121.566207
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -37.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -397.944013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.944013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.944013 (E_RNA)
where:
Base-Base interactions energy: -286.468
where: short stacking energy: -126.461
Base-Backbone interact. energy: -0.128
local terms energy: -111.348018
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -33.267
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: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -384.448070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.448070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.448070 (E_RNA)
where:
Base-Base interactions energy: -271.316
where: short stacking energy: -113.650
Base-Backbone interact. energy: -0.056
local terms energy: -113.076523
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -32.617
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: 220
Temperature: 1.250000
Total energy: -381.823167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.823167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.823167 (E_RNA)
where:
Base-Base interactions energy: -268.083
where: short stacking energy: -110.702
Base-Backbone interact. energy: -0.323
local terms energy: -113.416825
where:
bonds (distance) C4'-P energy: -26.090
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -32.546
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: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -105.871892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.871892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.871892 (E_RNA)
where:
Base-Base interactions energy: -34.876
where: short stacking energy: -36.027
Base-Backbone interact. energy: -0.578
local terms energy: -70.417991
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -6.837
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: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -109.422569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.422569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.422569 (E_RNA)
where:
Base-Base interactions energy: -45.666
where: short stacking energy: -41.001
Base-Backbone interact. energy: 2.285
local terms energy: -66.042235
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -419.694338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.694338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.694338 (E_RNA)
where:
Base-Base interactions energy: -294.609
where: short stacking energy: -122.495
Base-Backbone interact. energy: -0.003
local terms energy: -125.082535
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -36.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -418.758493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.758493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.758493 (E_RNA)
where:
Base-Base interactions energy: -292.735
where: short stacking energy: -120.057
Base-Backbone interact. energy: -0.117
local terms energy: -125.906372
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -38.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -405.379519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.379519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.379519 (E_RNA)
where:
Base-Base interactions energy: -286.315
where: short stacking energy: -119.077
Base-Backbone interact. energy: -0.055
local terms energy: -119.008753
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -32.296
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: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -405.332866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.332866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.332866 (E_RNA)
where:
Base-Base interactions energy: -284.032
where: short stacking energy: -117.898
Base-Backbone interact. energy: 0.472
local terms energy: -121.773153
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -34.037
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: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -393.263642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.263642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.263642 (E_RNA)
where:
Base-Base interactions energy: -279.669
where: short stacking energy: -114.815
Base-Backbone interact. energy: -0.001
local terms energy: -113.594169
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -25.804
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -34.632
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: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -391.200787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.200787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.200787 (E_RNA)
where:
Base-Base interactions energy: -271.884
where: short stacking energy: -105.567
Base-Backbone interact. energy: -0.124
local terms energy: -119.193049
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -31.898
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: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -386.538318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.538318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.538318 (E_RNA)
where:
Base-Base interactions energy: -277.349
where: short stacking energy: -112.786
Base-Backbone interact. energy: -0.405
local terms energy: -108.784021
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -35.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -389.379467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.379467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.379467 (E_RNA)
where:
Base-Base interactions energy: -277.894
where: short stacking energy: -114.117
Base-Backbone interact. energy: -0.080
local terms energy: -111.405072
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -33.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -110.085777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.085777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.085777 (E_RNA)
where:
Base-Base interactions energy: -62.819
where: short stacking energy: -45.599
Base-Backbone interact. energy: -0.336
local terms energy: -46.930449
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -0.258
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: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -101.191084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.191084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.191084 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -25.716
Base-Backbone interact. energy: -1.063
local terms energy: -70.178251
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -416.167252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.167252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.167252 (E_RNA)
where:
Base-Base interactions energy: -293.021
where: short stacking energy: -115.736
Base-Backbone interact. energy: -0.595
local terms energy: -122.551292
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -35.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -409.482952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.482952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.482952 (E_RNA)
where:
Base-Base interactions energy: -294.876
where: short stacking energy: -123.271
Base-Backbone interact. energy: -0.158
local terms energy: -114.449712
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -36.711
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: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -405.884844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.884844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.884844 (E_RNA)
where:
Base-Base interactions energy: -281.542
where: short stacking energy: -115.084
Base-Backbone interact. energy: -0.002
local terms energy: -124.340183
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -34.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -410.592348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.592348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.592348 (E_RNA)
where:
Base-Base interactions energy: -293.267
where: short stacking energy: -125.341
Base-Backbone interact. energy: 0.512
local terms energy: -117.837136
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -36.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -399.418768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.418768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.418768 (E_RNA)
where:
Base-Base interactions energy: -285.071
where: short stacking energy: -118.893
Base-Backbone interact. energy: -0.275
local terms energy: -114.072172
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -31.481
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: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -404.983011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.983011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.983011 (E_RNA)
where:
Base-Base interactions energy: -290.750
where: short stacking energy: -116.436
Base-Backbone interact. energy: -0.004
local terms energy: -114.228561
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -35.263
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: 222
Temperature: 1.200000
Total energy: -391.447208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.447208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.447208 (E_RNA)
where:
Base-Base interactions energy: -274.843
where: short stacking energy: -112.060
Base-Backbone interact. energy: 1.152
local terms energy: -117.755342
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -34.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -383.182881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.182881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.182881 (E_RNA)
where:
Base-Base interactions energy: -271.133
where: short stacking energy: -109.011
Base-Backbone interact. energy: -1.017
local terms energy: -111.032617
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -34.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -111.114736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.114736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.114736 (E_RNA)
where:
Base-Base interactions energy: -38.430
where: short stacking energy: -23.016
Base-Backbone interact. energy: 0.455
local terms energy: -73.139287
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -2.752
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: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -109.323286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.323286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.323286 (E_RNA)
where:
Base-Base interactions energy: -45.038
where: short stacking energy: -39.209
Base-Backbone interact. energy: -0.763
local terms energy: -63.522098
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -3.753
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: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -421.629764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.629764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.629764 (E_RNA)
where:
Base-Base interactions energy: -294.502
where: short stacking energy: -119.319
Base-Backbone interact. energy: -0.418
local terms energy: -126.709840
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -19.878
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: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -416.161347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.161347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.161347 (E_RNA)
where:
Base-Base interactions energy: -295.336
where: short stacking energy: -120.620
Base-Backbone interact. energy: -0.844
local terms energy: -119.981867
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -18.358
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: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -411.553122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.553122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.553122 (E_RNA)
where:
Base-Base interactions energy: -288.769
where: short stacking energy: -114.602
Base-Backbone interact. energy: -0.331
local terms energy: -122.452434
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -36.452
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: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -398.854205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.854205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.854205 (E_RNA)
where:
Base-Base interactions energy: -281.602
where: short stacking energy: -117.817
Base-Backbone interact. energy: 0.744
local terms energy: -117.995704
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -17.355
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: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -402.610650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.610650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.610650 (E_RNA)
where:
Base-Base interactions energy: -276.922
where: short stacking energy: -110.902
Base-Backbone interact. energy: -0.174
local terms energy: -125.514763
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -35.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -376.954251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.954251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.954251 (E_RNA)
where:
Base-Base interactions energy: -269.775
where: short stacking energy: -111.361
Base-Backbone interact. energy: -0.704
local terms energy: -106.475594
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -29.587
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: 223
Temperature: 1.200000
Total energy: -383.924364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.924364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.924364 (E_RNA)
where:
Base-Base interactions energy: -272.856
where: short stacking energy: -112.948
Base-Backbone interact. energy: -0.032
local terms energy: -111.036839
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -34.482
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -386.836266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.836266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.836266 (E_RNA)
where:
Base-Base interactions energy: -277.930
where: short stacking energy: -110.318
Base-Backbone interact. energy: -0.052
local terms energy: -108.854057
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -33.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -112.437119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.437119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.437119 (E_RNA)
where:
Base-Base interactions energy: -47.789
where: short stacking energy: -29.608
Base-Backbone interact. energy: 0.307
local terms energy: -64.955302
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -117.131785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.131785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.131785 (E_RNA)
where:
Base-Base interactions energy: -43.832
where: short stacking energy: -34.063
Base-Backbone interact. energy: -0.400
local terms energy: -72.899537
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -418.304540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.304540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.304540 (E_RNA)
where:
Base-Base interactions energy: -295.854
where: short stacking energy: -120.170
Base-Backbone interact. energy: -0.109
local terms energy: -122.341344
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -18.589
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: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -416.821796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.821796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.821796 (E_RNA)
where:
Base-Base interactions energy: -295.779
where: short stacking energy: -121.691
Base-Backbone interact. energy: -0.593
local terms energy: -120.449860
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -35.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -407.013959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.013959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.013959 (E_RNA)
where:
Base-Base interactions energy: -287.458
where: short stacking energy: -115.061
Base-Backbone interact. energy: -0.001
local terms energy: -119.554729
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -36.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -402.759474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.759474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.759474 (E_RNA)
where:
Base-Base interactions energy: -285.734
where: short stacking energy: -119.994
Base-Backbone interact. energy: -0.468
local terms energy: -116.557362
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -408.272383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.272383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.272383 (E_RNA)
where:
Base-Base interactions energy: -287.092
where: short stacking energy: -119.748
Base-Backbone interact. energy: -0.001
local terms energy: -121.179904
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -26.033
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -36.144
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: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -386.382874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.382874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.382874 (E_RNA)
where:
Base-Base interactions energy: -280.381
where: short stacking energy: -115.576
Base-Backbone interact. energy: -0.837
local terms energy: -105.164994
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -33.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -383.053418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.053418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.053418 (E_RNA)
where:
Base-Base interactions energy: -277.737
where: short stacking energy: -111.749
Base-Backbone interact. energy: -0.655
local terms energy: -104.662087
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -34.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -386.246046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.246046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.246046 (E_RNA)
where:
Base-Base interactions energy: -267.190
where: short stacking energy: -107.567
Base-Backbone interact. energy: -0.005
local terms energy: -119.051952
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -33.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -116.327970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.327970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.327970 (E_RNA)
where:
Base-Base interactions energy: -50.177
where: short stacking energy: -34.174
Base-Backbone interact. energy: 1.305
local terms energy: -67.455597
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: 4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -130.595955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.595955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.595955 (E_RNA)
where:
Base-Base interactions energy: -68.815
where: short stacking energy: -46.997
Base-Backbone interact. energy: 0.042
local terms energy: -61.823020
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -4.239
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: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -420.592248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.592248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.592248 (E_RNA)
where:
Base-Base interactions energy: -289.439
where: short stacking energy: -121.978
Base-Backbone interact. energy: -0.588
local terms energy: -130.565230
where:
bonds (distance) C4'-P energy: -24.617
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -38.362
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: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -411.662726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.662726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.662726 (E_RNA)
where:
Base-Base interactions energy: -288.202
where: short stacking energy: -118.916
Base-Backbone interact. energy: -0.001
local terms energy: -123.460401
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -35.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -411.005333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.005333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.005333 (E_RNA)
where:
Base-Base interactions energy: -287.346
where: short stacking energy: -118.102
Base-Backbone interact. energy: -0.006
local terms energy: -123.653735
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -34.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -410.369389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.369389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.369389 (E_RNA)
where:
Base-Base interactions energy: -289.696
where: short stacking energy: -122.289
Base-Backbone interact. energy: -0.004
local terms energy: -120.669680
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -35.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -403.101191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.101191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.101191 (E_RNA)
where:
Base-Base interactions energy: -283.395
where: short stacking energy: -117.827
Base-Backbone interact. energy: -0.031
local terms energy: -119.675294
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -18.522
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: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -395.939486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.939486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.939486 (E_RNA)
where:
Base-Base interactions energy: -284.569
where: short stacking energy: -116.187
Base-Backbone interact. energy: -0.019
local terms energy: -111.351814
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -35.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -392.562155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.562155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.562155 (E_RNA)
where:
Base-Base interactions energy: -282.958
where: short stacking energy: -116.608
Base-Backbone interact. energy: -0.254
local terms energy: -109.350651
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -33.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -354.732389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.732389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.732389 (E_RNA)
where:
Base-Base interactions energy: -262.828
where: short stacking energy: -110.148
Base-Backbone interact. energy: -0.007
local terms energy: -91.897688
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -33.502
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: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -114.689428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.689428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.689428 (E_RNA)
where:
Base-Base interactions energy: -49.193
where: short stacking energy: -26.357
Base-Backbone interact. energy: 0.705
local terms energy: -66.202096
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -0.485
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: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -112.356105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.356105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.356105 (E_RNA)
where:
Base-Base interactions energy: -48.469
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.120
local terms energy: -63.767276
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -416.202583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.202583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.202583 (E_RNA)
where:
Base-Base interactions energy: -296.799
where: short stacking energy: -125.833
Base-Backbone interact. energy: -0.114
local terms energy: -119.289483
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -37.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -415.342881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.342881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.342881 (E_RNA)
where:
Base-Base interactions energy: -287.912
where: short stacking energy: -123.315
Base-Backbone interact. energy: -0.002
local terms energy: -127.428143
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -20.979
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: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -410.736652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.736652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.736652 (E_RNA)
where:
Base-Base interactions energy: -291.903
where: short stacking energy: -115.437
Base-Backbone interact. energy: -0.002
local terms energy: -118.831923
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -36.110
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: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -408.695023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.695023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.695023 (E_RNA)
where:
Base-Base interactions energy: -288.614
where: short stacking energy: -117.350
Base-Backbone interact. energy: -0.330
local terms energy: -119.750537
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -35.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -394.132162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.132162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.132162 (E_RNA)
where:
Base-Base interactions energy: -281.835
where: short stacking energy: -114.395
Base-Backbone interact. energy: -0.001
local terms energy: -112.296128
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -34.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -396.103526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.103526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.103526 (E_RNA)
where:
Base-Base interactions energy: -284.763
where: short stacking energy: -118.351
Base-Backbone interact. energy: -0.366
local terms energy: -110.974470
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -37.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -392.104617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.104617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.104617 (E_RNA)
where:
Base-Base interactions energy: -283.091
where: short stacking energy: -108.354
Base-Backbone interact. energy: 0.824
local terms energy: -109.837183
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -32.952
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: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -360.956262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.956262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.956262 (E_RNA)
where:
Base-Base interactions energy: -269.664
where: short stacking energy: -101.634
Base-Backbone interact. energy: -0.003
local terms energy: -91.289110
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -32.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -133.497068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.497068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.497068 (E_RNA)
where:
Base-Base interactions energy: -63.845
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.324
local terms energy: -69.327604
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -5.491
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: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -97.104673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.104673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.104673 (E_RNA)
where:
Base-Base interactions energy: -33.283
where: short stacking energy: -27.736
Base-Backbone interact. energy: 0.467
local terms energy: -64.289489
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: 3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -417.246258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.246258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.246258 (E_RNA)
where:
Base-Base interactions energy: -288.601
where: short stacking energy: -119.120
Base-Backbone interact. energy: -0.345
local terms energy: -128.301002
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -35.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -423.494781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.494781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.494781 (E_RNA)
where:
Base-Base interactions energy: -305.060
where: short stacking energy: -127.984
Base-Backbone interact. energy: -0.002
local terms energy: -118.433065
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -38.019
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: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -412.271791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.271791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.271791 (E_RNA)
where:
Base-Base interactions energy: -291.391
where: short stacking energy: -124.107
Base-Backbone interact. energy: -0.232
local terms energy: -120.648654
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -36.048
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: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -401.612141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.612141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.612141 (E_RNA)
where:
Base-Base interactions energy: -287.524
where: short stacking energy: -117.291
Base-Backbone interact. energy: -0.056
local terms energy: -114.032474
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -33.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -400.675178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.675178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.675178 (E_RNA)
where:
Base-Base interactions energy: -284.678
where: short stacking energy: -113.522
Base-Backbone interact. energy: -0.001
local terms energy: -115.996137
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -11.933
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: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -395.309338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.309338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.309338 (E_RNA)
where:
Base-Base interactions energy: -285.691
where: short stacking energy: -113.551
Base-Backbone interact. energy: 0.532
local terms energy: -110.149836
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -18.201
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: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -388.702689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.702689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.702689 (E_RNA)
where:
Base-Base interactions energy: -278.813
where: short stacking energy: -114.107
Base-Backbone interact. energy: 0.274
local terms energy: -110.162865
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -32.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -369.407470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.407470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.407470 (E_RNA)
where:
Base-Base interactions energy: -257.194
where: short stacking energy: -106.775
Base-Backbone interact. energy: -0.538
local terms energy: -111.675612
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -23.975
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -30.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -127.646792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.646792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.646792 (E_RNA)
where:
Base-Base interactions energy: -57.896
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.224
local terms energy: -69.526720
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -105.786224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.786224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.786224 (E_RNA)
where:
Base-Base interactions energy: -34.564
where: short stacking energy: -31.089
Base-Backbone interact. energy: -0.464
local terms energy: -70.758229
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -3.816
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: 228
Temperature: 0.900000
Total energy: -428.672312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.672312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.672312 (E_RNA)
where:
Base-Base interactions energy: -306.244
where: short stacking energy: -126.814
Base-Backbone interact. energy: -0.085
local terms energy: -122.343292
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -36.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -416.971624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.971624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.971624 (E_RNA)
where:
Base-Base interactions energy: -295.600
where: short stacking energy: -127.329
Base-Backbone interact. energy: -0.675
local terms energy: -120.696187
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -25.426
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -36.563
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: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -414.983868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.983868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.983868 (E_RNA)
where:
Base-Base interactions energy: -292.433
where: short stacking energy: -125.334
Base-Backbone interact. energy: -0.863
local terms energy: -121.687411
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -36.111
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: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -403.730244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.730244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.730244 (E_RNA)
where:
Base-Base interactions energy: -286.794
where: short stacking energy: -116.085
Base-Backbone interact. energy: 0.231
local terms energy: -117.166765
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -33.962
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: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -397.439823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.439823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.439823 (E_RNA)
where:
Base-Base interactions energy: -290.875
where: short stacking energy: -116.714
Base-Backbone interact. energy: -0.002
local terms energy: -106.562728
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -34.738
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: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -400.340102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.340102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.340102 (E_RNA)
where:
Base-Base interactions energy: -283.108
where: short stacking energy: -113.888
Base-Backbone interact. energy: -0.126
local terms energy: -117.106433
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -32.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -386.959308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.959308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.959308 (E_RNA)
where:
Base-Base interactions energy: -271.904
where: short stacking energy: -114.437
Base-Backbone interact. energy: 0.537
local terms energy: -115.592604
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -34.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -336.214148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.214148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.214148 (E_RNA)
where:
Base-Base interactions energy: -244.708
where: short stacking energy: -99.999
Base-Backbone interact. energy: 0.932
local terms energy: -92.438339
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -32.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -107.288606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.288606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.288606 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -32.736
Base-Backbone interact. energy: -0.280
local terms energy: -68.706575
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -104.528931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.528931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.528931 (E_RNA)
where:
Base-Base interactions energy: -35.005
where: short stacking energy: -26.859
Base-Backbone interact. energy: 0.569
local terms energy: -70.092626
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -4.469
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: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -431.236531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.236531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.236531 (E_RNA)
where:
Base-Base interactions energy: -307.139
where: short stacking energy: -126.509
Base-Backbone interact. energy: -0.002
local terms energy: -124.095578
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -36.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -416.876645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.876645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.876645 (E_RNA)
where:
Base-Base interactions energy: -292.737
where: short stacking energy: -120.901
Base-Backbone interact. energy: -0.018
local terms energy: -124.121633
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -34.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -412.486601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.486601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.486601 (E_RNA)
where:
Base-Base interactions energy: -287.404
where: short stacking energy: -116.148
Base-Backbone interact. energy: -0.371
local terms energy: -124.712347
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -37.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -404.420479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.420479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.420479 (E_RNA)
where:
Base-Base interactions energy: -281.333
where: short stacking energy: -110.552
Base-Backbone interact. energy: -0.455
local terms energy: -122.632471
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -32.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -406.454799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.454799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.454799 (E_RNA)
where:
Base-Base interactions energy: -286.247
where: short stacking energy: -121.652
Base-Backbone interact. energy: -0.189
local terms energy: -120.018928
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -36.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -396.710528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.710528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.710528 (E_RNA)
where:
Base-Base interactions energy: -286.441
where: short stacking energy: -117.461
Base-Backbone interact. energy: -0.289
local terms energy: -109.980310
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -36.199
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: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -384.887218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.887218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.887218 (E_RNA)
where:
Base-Base interactions energy: -273.063
where: short stacking energy: -111.860
Base-Backbone interact. energy: -0.013
local terms energy: -111.811877
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -35.293
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: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -353.986405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.986405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.986405 (E_RNA)
where:
Base-Base interactions energy: -259.924
where: short stacking energy: -100.406
Base-Backbone interact. energy: -0.066
local terms energy: -93.996043
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -28.472
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: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -111.248061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.248061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.248061 (E_RNA)
where:
Base-Base interactions energy: -58.109
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.703
local terms energy: -52.435807
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: 2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -113.647075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.647075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.647075 (E_RNA)
where:
Base-Base interactions energy: -60.743
where: short stacking energy: -39.504
Base-Backbone interact. energy: -0.332
local terms energy: -52.572860
where:
bonds (distance) C4'-P energy: -3.739
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -9.153
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: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -417.931381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.931381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.931381 (E_RNA)
where:
Base-Base interactions energy: -295.348
where: short stacking energy: -122.444
Base-Backbone interact. energy: -0.408
local terms energy: -122.175410
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -35.430
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: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -413.014519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.014519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.014519 (E_RNA)
where:
Base-Base interactions energy: -296.496
where: short stacking energy: -119.079
Base-Backbone interact. energy: -0.863
local terms energy: -115.655567
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -36.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -413.919047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.919047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.919047 (E_RNA)
where:
Base-Base interactions energy: -293.853
where: short stacking energy: -120.908
Base-Backbone interact. energy: -0.005
local terms energy: -120.061404
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -27.903
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -37.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -403.496745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.496745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.496745 (E_RNA)
where:
Base-Base interactions energy: -281.600
where: short stacking energy: -121.484
Base-Backbone interact. energy: 0.903
local terms energy: -122.798998
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -38.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -392.553170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.553170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.553170 (E_RNA)
where:
Base-Base interactions energy: -286.707
where: short stacking energy: -111.799
Base-Backbone interact. energy: -0.724
local terms energy: -105.121610
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -13.771
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: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -389.641717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.641717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.641717 (E_RNA)
where:
Base-Base interactions energy: -272.403
where: short stacking energy: -109.079
Base-Backbone interact. energy: -0.032
local terms energy: -117.206898
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -35.617
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: 230
Temperature: 1.200000
Total energy: -378.881893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.881893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.881893 (E_RNA)
where:
Base-Base interactions energy: -272.190
where: short stacking energy: -114.210
Base-Backbone interact. energy: -0.017
local terms energy: -106.674333
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -31.490
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: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -384.223539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.223539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.223539 (E_RNA)
where:
Base-Base interactions energy: -265.076
where: short stacking energy: -114.050
Base-Backbone interact. energy: -0.011
local terms energy: -119.136463
where:
bonds (distance) C4'-P energy: -24.418
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -33.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -105.662079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.662079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.662079 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -30.445
Base-Backbone interact. energy: -0.182
local terms energy: -69.106857
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -112.475410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.475410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.475410 (E_RNA)
where:
Base-Base interactions energy: -39.928
where: short stacking energy: -39.505
Base-Backbone interact. energy: -0.146
local terms energy: -72.400715
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -2.050
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: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -425.533262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.533262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.533262 (E_RNA)
where:
Base-Base interactions energy: -296.257
where: short stacking energy: -121.566
Base-Backbone interact. energy: -0.012
local terms energy: -129.264193
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -37.321
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: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -412.515649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.515649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.515649 (E_RNA)
where:
Base-Base interactions energy: -291.679
where: short stacking energy: -116.672
Base-Backbone interact. energy: -0.161
local terms energy: -120.675255
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -34.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -419.072978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.072978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.072978 (E_RNA)
where:
Base-Base interactions energy: -295.049
where: short stacking energy: -122.109
Base-Backbone interact. energy: -0.148
local terms energy: -123.875555
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -18.985
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: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -406.378087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.378087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.378087 (E_RNA)
where:
Base-Base interactions energy: -289.227
where: short stacking energy: -119.580
Base-Backbone interact. energy: -0.130
local terms energy: -117.021348
where:
bonds (distance) C4'-P energy: -25.432
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -38.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -397.359629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.359629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.359629 (E_RNA)
where:
Base-Base interactions energy: -284.508
where: short stacking energy: -117.154
Base-Backbone interact. energy: -0.001
local terms energy: -112.850740
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -36.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -392.880525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.880525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.880525 (E_RNA)
where:
Base-Base interactions energy: -282.710
where: short stacking energy: -118.628
Base-Backbone interact. energy: -0.009
local terms energy: -110.161650
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -32.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -388.927668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.927668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.927668 (E_RNA)
where:
Base-Base interactions energy: -279.468
where: short stacking energy: -118.584
Base-Backbone interact. energy: -0.024
local terms energy: -109.435957
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -33.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -373.744786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.744786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.744786 (E_RNA)
where:
Base-Base interactions energy: -273.303
where: short stacking energy: -105.456
Base-Backbone interact. energy: -0.068
local terms energy: -100.373652
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -31.490
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: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -156.062907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.062907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.062907 (E_RNA)
where:
Base-Base interactions energy: -84.062
where: short stacking energy: -42.078
Base-Backbone interact. energy: -0.710
local terms energy: -71.290965
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -106.022170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.022170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.022170 (E_RNA)
where:
Base-Base interactions energy: -34.795
where: short stacking energy: -29.291
Base-Backbone interact. energy: 2.423
local terms energy: -73.650426
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -7.019
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: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -419.662821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.662821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.662821 (E_RNA)
where:
Base-Base interactions energy: -297.111
where: short stacking energy: -121.019
Base-Backbone interact. energy: -0.360
local terms energy: -122.192328
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -35.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -418.363965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.363965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.363965 (E_RNA)
where:
Base-Base interactions energy: -296.046
where: short stacking energy: -115.033
Base-Backbone interact. energy: -0.048
local terms energy: -122.269206
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -32.752
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: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -406.910407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.910407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.910407 (E_RNA)
where:
Base-Base interactions energy: -278.702
where: short stacking energy: -108.723
Base-Backbone interact. energy: -0.592
local terms energy: -127.616850
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -34.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -399.462257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.462257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.462257 (E_RNA)
where:
Base-Base interactions energy: -281.599
where: short stacking energy: -111.529
Base-Backbone interact. energy: -0.263
local terms energy: -117.599954
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -34.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -393.167265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.167265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.167265 (E_RNA)
where:
Base-Base interactions energy: -281.485
where: short stacking energy: -114.931
Base-Backbone interact. energy: -0.005
local terms energy: -111.677289
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -36.152
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: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -393.711511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.711511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.711511 (E_RNA)
where:
Base-Base interactions energy: -286.371
where: short stacking energy: -112.401
Base-Backbone interact. energy: -0.085
local terms energy: -107.255175
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -14.597
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: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -382.597702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.597702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.597702 (E_RNA)
where:
Base-Base interactions energy: -274.205
where: short stacking energy: -108.844
Base-Backbone interact. energy: -0.525
local terms energy: -107.867390
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -34.870
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: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -377.534161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.534161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.534161 (E_RNA)
where:
Base-Base interactions energy: -269.502
where: short stacking energy: -116.961
Base-Backbone interact. energy: -0.357
local terms energy: -107.674781
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -34.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -153.657888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.657888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.657888 (E_RNA)
where:
Base-Base interactions energy: -75.805
where: short stacking energy: -42.194
Base-Backbone interact. energy: 0.868
local terms energy: -78.720384
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -103.275054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.275054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.275054 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -29.607
Base-Backbone interact. energy: -0.808
local terms energy: -67.143120
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -5.076
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: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -434.129330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.129330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.129330 (E_RNA)
where:
Base-Base interactions energy: -304.757
where: short stacking energy: -126.444
Base-Backbone interact. energy: -0.281
local terms energy: -129.092028
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -38.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -416.702378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.702378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.702378 (E_RNA)
where:
Base-Base interactions energy: -294.026
where: short stacking energy: -127.375
Base-Backbone interact. energy: -0.078
local terms energy: -122.598552
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -37.887
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: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -410.583983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.583983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.583983 (E_RNA)
where:
Base-Base interactions energy: -286.196
where: short stacking energy: -118.588
Base-Backbone interact. energy: -0.485
local terms energy: -123.903073
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -33.885
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: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -413.156132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.156132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.156132 (E_RNA)
where:
Base-Base interactions energy: -294.612
where: short stacking energy: -116.809
Base-Backbone interact. energy: -0.013
local terms energy: -118.530736
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -34.771
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: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -392.637511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.637511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.637511 (E_RNA)
where:
Base-Base interactions energy: -285.208
where: short stacking energy: -115.215
Base-Backbone interact. energy: -0.066
local terms energy: -107.363120
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -34.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -396.481462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.481462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.481462 (E_RNA)
where:
Base-Base interactions energy: -282.564
where: short stacking energy: -111.418
Base-Backbone interact. energy: -0.002
local terms energy: -113.915590
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -393.649884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.649884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.649884 (E_RNA)
where:
Base-Base interactions energy: -280.217
where: short stacking energy: -118.704
Base-Backbone interact. energy: -0.001
local terms energy: -113.431867
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -36.471
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: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -381.303783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.303783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.303783 (E_RNA)
where:
Base-Base interactions energy: -270.011
where: short stacking energy: -109.722
Base-Backbone interact. energy: -0.223
local terms energy: -111.069804
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -33.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -116.949848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.949848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.949848 (E_RNA)
where:
Base-Base interactions energy: -44.298
where: short stacking energy: -24.849
Base-Backbone interact. energy: -0.185
local terms energy: -72.467673
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -102.961031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.961031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.961031 (E_RNA)
where:
Base-Base interactions energy: -37.751
where: short stacking energy: -33.475
Base-Backbone interact. energy: -0.157
local terms energy: -65.053720
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: 1.507
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: 234
Temperature: 0.900000
Total energy: -423.242130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.242130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.242130 (E_RNA)
where:
Base-Base interactions energy: -303.076
where: short stacking energy: -121.389
Base-Backbone interact. energy: -0.001
local terms energy: -120.165189
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -35.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -417.477302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.477302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.477302 (E_RNA)
where:
Base-Base interactions energy: -295.624
where: short stacking energy: -120.376
Base-Backbone interact. energy: -0.046
local terms energy: -121.807455
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -35.911
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: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -407.832910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.832910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.832910 (E_RNA)
where:
Base-Base interactions energy: -289.543
where: short stacking energy: -113.248
Base-Backbone interact. energy: -0.082
local terms energy: -118.208016
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -34.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -405.186960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.186960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.186960 (E_RNA)
where:
Base-Base interactions energy: -293.173
where: short stacking energy: -119.385
Base-Backbone interact. energy: -0.674
local terms energy: -111.339781
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -36.012
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: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -399.890625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.890625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.890625 (E_RNA)
where:
Base-Base interactions energy: -285.020
where: short stacking energy: -118.854
Base-Backbone interact. energy: -0.969
local terms energy: -113.901107
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -36.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -400.577645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.577645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.577645 (E_RNA)
where:
Base-Base interactions energy: -282.691
where: short stacking energy: -111.321
Base-Backbone interact. energy: -0.089
local terms energy: -117.797911
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -19.566
tors. eta vs tors. theta energy: -33.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -397.678144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.678144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.678144 (E_RNA)
where:
Base-Base interactions energy: -283.401
where: short stacking energy: -117.453
Base-Backbone interact. energy: -0.012
local terms energy: -114.264759
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -32.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -391.854980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.854980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.854980 (E_RNA)
where:
Base-Base interactions energy: -285.442
where: short stacking energy: -117.937
Base-Backbone interact. energy: -0.004
local terms energy: -106.409001
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -22.063
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -33.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -108.417088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.417088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.417088 (E_RNA)
where:
Base-Base interactions energy: -41.211
where: short stacking energy: -32.964
Base-Backbone interact. energy: -0.283
local terms energy: -66.923233
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: 3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -107.923886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.923886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.923886 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -35.841
Base-Backbone interact. energy: -0.921
local terms energy: -67.289973
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -426.210180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.210180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.210180 (E_RNA)
where:
Base-Base interactions energy: -296.239
where: short stacking energy: -123.631
Base-Backbone interact. energy: -0.286
local terms energy: -129.685233
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -34.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -421.044461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.044461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.044461 (E_RNA)
where:
Base-Base interactions energy: -298.037
where: short stacking energy: -122.556
Base-Backbone interact. energy: -0.001
local terms energy: -123.006603
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -37.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -403.677441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.677441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.677441 (E_RNA)
where:
Base-Base interactions energy: -288.677
where: short stacking energy: -114.363
Base-Backbone interact. energy: -0.157
local terms energy: -114.843681
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -33.568
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: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -397.493003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.493003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.493003 (E_RNA)
where:
Base-Base interactions energy: -280.005
where: short stacking energy: -115.426
Base-Backbone interact. energy: -0.001
local terms energy: -117.486592
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -36.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -397.719219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.719219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.719219 (E_RNA)
where:
Base-Base interactions energy: -277.467
where: short stacking energy: -116.317
Base-Backbone interact. energy: -0.032
local terms energy: -120.220103
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -36.092
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: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -400.709329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.709329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.709329 (E_RNA)
where:
Base-Base interactions energy: -283.910
where: short stacking energy: -116.127
Base-Backbone interact. energy: -0.451
local terms energy: -116.348635
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -35.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -386.918039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.918039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.918039 (E_RNA)
where:
Base-Base interactions energy: -278.265
where: short stacking energy: -117.149
Base-Backbone interact. energy: -0.025
local terms energy: -108.628447
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -31.767
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: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -386.483185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.483185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.483185 (E_RNA)
where:
Base-Base interactions energy: -281.260
where: short stacking energy: -117.783
Base-Backbone interact. energy: -0.003
local terms energy: -105.221013
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -33.298
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: 235
Temperature: 1.300000
Total energy: -107.699274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.699274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.699274 (E_RNA)
where:
Base-Base interactions energy: -44.404
where: short stacking energy: -41.390
Base-Backbone interact. energy: -0.468
local terms energy: -62.827056
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -0.595
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: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -122.528070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.528070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.528070 (E_RNA)
where:
Base-Base interactions energy: -56.991
where: short stacking energy: -27.792
Base-Backbone interact. energy: -0.345
local terms energy: -65.192330
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -420.960796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.960796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.960796 (E_RNA)
where:
Base-Base interactions energy: -301.880
where: short stacking energy: -126.584
Base-Backbone interact. energy: -0.126
local terms energy: -118.953830
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -35.482
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: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -417.156523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.156523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.156523 (E_RNA)
where:
Base-Base interactions energy: -292.574
where: short stacking energy: -128.755
Base-Backbone interact. energy: -0.242
local terms energy: -124.340022
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -36.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -404.027071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.027071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.027071 (E_RNA)
where:
Base-Base interactions energy: -278.691
where: short stacking energy: -110.487
Base-Backbone interact. energy: -0.292
local terms energy: -125.044052
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -34.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -405.865441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.865441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.865441 (E_RNA)
where:
Base-Base interactions energy: -290.041
where: short stacking energy: -121.097
Base-Backbone interact. energy: -0.003
local terms energy: -115.821306
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -34.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -399.484764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.484764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.484764 (E_RNA)
where:
Base-Base interactions energy: -285.003
where: short stacking energy: -112.393
Base-Backbone interact. energy: -0.008
local terms energy: -114.473887
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -32.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -391.085652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.085652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.085652 (E_RNA)
where:
Base-Base interactions energy: -276.805
where: short stacking energy: -107.756
Base-Backbone interact. energy: -0.004
local terms energy: -114.276330
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -34.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -390.872994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.872994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.872994 (E_RNA)
where:
Base-Base interactions energy: -282.740
where: short stacking energy: -115.100
Base-Backbone interact. energy: -0.560
local terms energy: -107.573361
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -34.210
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -393.270544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.270544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.270544 (E_RNA)
where:
Base-Base interactions energy: -277.820
where: short stacking energy: -116.227
Base-Backbone interact. energy: -0.000
local terms energy: -115.450354
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -17.394
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: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -110.304307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.304307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.304307 (E_RNA)
where:
Base-Base interactions energy: -51.061
where: short stacking energy: -32.843
Base-Backbone interact. energy: -0.948
local terms energy: -58.295567
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -4.003
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: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -113.002824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.002824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.002824 (E_RNA)
where:
Base-Base interactions energy: -35.418
where: short stacking energy: -34.927
Base-Backbone interact. energy: -0.027
local terms energy: -77.557118
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -7.352
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: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -427.757938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.757938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.757938 (E_RNA)
where:
Base-Base interactions energy: -306.847
where: short stacking energy: -126.408
Base-Backbone interact. energy: -0.001
local terms energy: -120.909766
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -35.841
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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -417.517656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.517656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.517656 (E_RNA)
where:
Base-Base interactions energy: -293.737
where: short stacking energy: -122.592
Base-Backbone interact. energy: -0.208
local terms energy: -123.572652
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -37.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -404.864152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.864152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.864152 (E_RNA)
where:
Base-Base interactions energy: -298.381
where: short stacking energy: -124.456
Base-Backbone interact. energy: -0.166
local terms energy: -106.316524
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -34.874
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: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -405.128503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.128503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.128503 (E_RNA)
where:
Base-Base interactions energy: -280.349
where: short stacking energy: -117.741
Base-Backbone interact. energy: -0.085
local terms energy: -124.694875
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -34.962
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: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -396.489089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.489089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.489089 (E_RNA)
where:
Base-Base interactions energy: -288.606
where: short stacking energy: -114.412
Base-Backbone interact. energy: -0.004
local terms energy: -107.879339
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -30.732
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: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -393.575268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.575268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.575268 (E_RNA)
where:
Base-Base interactions energy: -279.515
where: short stacking energy: -109.226
Base-Backbone interact. energy: -0.005
local terms energy: -114.055850
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -36.606
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: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -383.986416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.986416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.986416 (E_RNA)
where:
Base-Base interactions energy: -265.823
where: short stacking energy: -103.247
Base-Backbone interact. energy: -0.843
local terms energy: -117.320294
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -34.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -375.968219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.968219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.968219 (E_RNA)
where:
Base-Base interactions energy: -261.873
where: short stacking energy: -109.525
Base-Backbone interact. energy: -0.003
local terms energy: -114.092247
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -34.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -119.423087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.423087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.423087 (E_RNA)
where:
Base-Base interactions energy: -49.676
where: short stacking energy: -39.682
Base-Backbone interact. energy: 0.557
local terms energy: -70.303450
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -128.273454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.273454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.273454 (E_RNA)
where:
Base-Base interactions energy: -64.402
where: short stacking energy: -36.945
Base-Backbone interact. energy: 2.719
local terms energy: -66.589721
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: 0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -425.713809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.713809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.713809 (E_RNA)
where:
Base-Base interactions energy: -299.213
where: short stacking energy: -123.229
Base-Backbone interact. energy: -0.613
local terms energy: -125.888338
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -36.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -420.506080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.506080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.506080 (E_RNA)
where:
Base-Base interactions energy: -299.787
where: short stacking energy: -118.605
Base-Backbone interact. energy: -0.379
local terms energy: -120.340307
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -35.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -412.981194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.981194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.981194 (E_RNA)
where:
Base-Base interactions energy: -293.979
where: short stacking energy: -120.485
Base-Backbone interact. energy: -0.165
local terms energy: -118.836422
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -35.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -402.661401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.661401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.661401 (E_RNA)
where:
Base-Base interactions energy: -288.708
where: short stacking energy: -118.527
Base-Backbone interact. energy: 0.175
local terms energy: -114.128278
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -35.030
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: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -406.550204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.550204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.550204 (E_RNA)
where:
Base-Base interactions energy: -294.884
where: short stacking energy: -125.837
Base-Backbone interact. energy: -0.001
local terms energy: -111.664896
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -25.376
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -35.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -384.763936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.763936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.763936 (E_RNA)
where:
Base-Base interactions energy: -276.643
where: short stacking energy: -108.613
Base-Backbone interact. energy: -0.003
local terms energy: -108.118134
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -34.788
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: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -392.037164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.037164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.037164 (E_RNA)
where:
Base-Base interactions energy: -270.652
where: short stacking energy: -107.610
Base-Backbone interact. energy: -0.158
local terms energy: -121.227940
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -31.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -347.427434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.427434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.427434 (E_RNA)
where:
Base-Base interactions energy: -242.074
where: short stacking energy: -105.022
Base-Backbone interact. energy: -0.016
local terms energy: -105.337545
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -29.962
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: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -122.680562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.680562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.680562 (E_RNA)
where:
Base-Base interactions energy: -63.731
where: short stacking energy: -41.745
Base-Backbone interact. energy: 0.017
local terms energy: -58.966626
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -95.729907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.729907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.729907 (E_RNA)
where:
Base-Base interactions energy: -31.332
where: short stacking energy: -25.213
Base-Backbone interact. energy: 1.023
local terms energy: -65.420290
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: 4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -421.464503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.464503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.464503 (E_RNA)
where:
Base-Base interactions energy: -295.163
where: short stacking energy: -122.802
Base-Backbone interact. energy: -0.002
local terms energy: -126.299535
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -36.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -408.985528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.985528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.985528 (E_RNA)
where:
Base-Base interactions energy: -289.311
where: short stacking energy: -119.934
Base-Backbone interact. energy: -0.250
local terms energy: -119.424865
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -36.220
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: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -408.414117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.414117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.414117 (E_RNA)
where:
Base-Base interactions energy: -293.035
where: short stacking energy: -115.609
Base-Backbone interact. energy: -0.054
local terms energy: -115.325345
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -36.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -402.857988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.857988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.857988 (E_RNA)
where:
Base-Base interactions energy: -289.754
where: short stacking energy: -121.031
Base-Backbone interact. energy: -0.001
local terms energy: -113.103223
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -37.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -392.119083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.119083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.119083 (E_RNA)
where:
Base-Base interactions energy: -286.017
where: short stacking energy: -118.008
Base-Backbone interact. energy: -0.002
local terms energy: -106.100719
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -35.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -390.115728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.115728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.115728 (E_RNA)
where:
Base-Base interactions energy: -277.462
where: short stacking energy: -114.514
Base-Backbone interact. energy: -0.105
local terms energy: -112.548060
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -34.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -390.478662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.478662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.478662 (E_RNA)
where:
Base-Base interactions energy: -284.876
where: short stacking energy: -114.441
Base-Backbone interact. energy: -0.263
local terms energy: -105.339939
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -35.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -354.505591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.505591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.505591 (E_RNA)
where:
Base-Base interactions energy: -249.549
where: short stacking energy: -97.227
Base-Backbone interact. energy: -0.005
local terms energy: -104.951971
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -28.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -104.585138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.585138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.585138 (E_RNA)
where:
Base-Base interactions energy: -30.488
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.082
local terms energy: -74.014844
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -3.342
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: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -96.333990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.333990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.333990 (E_RNA)
where:
Base-Base interactions energy: -33.367
where: short stacking energy: -33.567
Base-Backbone interact. energy: -0.323
local terms energy: -62.643630
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -419.109048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.109048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.109048 (E_RNA)
where:
Base-Base interactions energy: -301.598
where: short stacking energy: -124.905
Base-Backbone interact. energy: -0.501
local terms energy: -117.010317
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -37.883
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: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -410.648516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.648516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.648516 (E_RNA)
where:
Base-Base interactions energy: -291.356
where: short stacking energy: -119.817
Base-Backbone interact. energy: -0.165
local terms energy: -119.127435
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -18.874
tors. eta vs tors. theta energy: -36.166
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: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -415.423223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.423223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.423223 (E_RNA)
where:
Base-Base interactions energy: -292.941
where: short stacking energy: -119.318
Base-Backbone interact. energy: -0.005
local terms energy: -122.477377
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -20.143
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: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -401.329737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.329737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.329737 (E_RNA)
where:
Base-Base interactions energy: -285.595
where: short stacking energy: -120.159
Base-Backbone interact. energy: -0.311
local terms energy: -115.423776
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -34.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -401.060394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.060394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.060394 (E_RNA)
where:
Base-Base interactions energy: -282.674
where: short stacking energy: -112.633
Base-Backbone interact. energy: -0.323
local terms energy: -118.063842
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -35.096
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: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -389.338621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.338621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.338621 (E_RNA)
where:
Base-Base interactions energy: -276.914
where: short stacking energy: -112.968
Base-Backbone interact. energy: -0.022
local terms energy: -112.402300
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -17.206
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: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -388.224167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.224167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.224167 (E_RNA)
where:
Base-Base interactions energy: -274.913
where: short stacking energy: -110.239
Base-Backbone interact. energy: -0.191
local terms energy: -113.119977
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -30.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -388.732730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.732730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.732730 (E_RNA)
where:
Base-Base interactions energy: -273.899
where: short stacking energy: -107.090
Base-Backbone interact. energy: -0.263
local terms energy: -114.571148
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -33.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -106.801159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.801159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.801159 (E_RNA)
where:
Base-Base interactions energy: -43.629
where: short stacking energy: -37.966
Base-Backbone interact. energy: -0.453
local terms energy: -62.719953
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -7.853
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: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -123.459271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.459271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.459271 (E_RNA)
where:
Base-Base interactions energy: -54.370
where: short stacking energy: -33.700
Base-Backbone interact. energy: -0.633
local terms energy: -68.455578
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -423.331010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.331010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.331010 (E_RNA)
where:
Base-Base interactions energy: -295.165
where: short stacking energy: -124.743
Base-Backbone interact. energy: -0.000
local terms energy: -128.165378
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -36.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -408.771171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.771171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.771171 (E_RNA)
where:
Base-Base interactions energy: -291.066
where: short stacking energy: -119.244
Base-Backbone interact. energy: -0.946
local terms energy: -116.759184
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -34.777
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: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -403.850387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.850387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.850387 (E_RNA)
where:
Base-Base interactions energy: -283.688
where: short stacking energy: -112.003
Base-Backbone interact. energy: -0.072
local terms energy: -120.090776
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -34.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -413.542717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.542717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.542717 (E_RNA)
where:
Base-Base interactions energy: -293.783
where: short stacking energy: -122.333
Base-Backbone interact. energy: -0.241
local terms energy: -119.519055
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -38.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -397.607651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.607651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.607651 (E_RNA)
where:
Base-Base interactions energy: -288.487
where: short stacking energy: -117.679
Base-Backbone interact. energy: -0.131
local terms energy: -108.989635
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -34.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -392.421473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.421473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.421473 (E_RNA)
where:
Base-Base interactions energy: -282.532
where: short stacking energy: -118.562
Base-Backbone interact. energy: -0.285
local terms energy: -109.604714
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -32.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -387.075545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.075545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.075545 (E_RNA)
where:
Base-Base interactions energy: -283.287
where: short stacking energy: -112.773
Base-Backbone interact. energy: -0.001
local terms energy: -103.787621
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -34.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -388.900208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.900208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.900208 (E_RNA)
where:
Base-Base interactions energy: -277.641
where: short stacking energy: -114.985
Base-Backbone interact. energy: -0.003
local terms energy: -111.256632
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -37.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -112.146774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.146774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.146774 (E_RNA)
where:
Base-Base interactions energy: -36.142
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.117
local terms energy: -75.888540
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -120.424691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.424691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.424691 (E_RNA)
where:
Base-Base interactions energy: -55.082
where: short stacking energy: -31.011
Base-Backbone interact. energy: -0.622
local terms energy: -64.720726
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -10.665
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: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -420.981664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.981664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.981664 (E_RNA)
where:
Base-Base interactions energy: -302.726
where: short stacking energy: -126.046
Base-Backbone interact. energy: -0.003
local terms energy: -118.252444
where:
bonds (distance) C4'-P energy: -24.840
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -37.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -413.352265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.352265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.352265 (E_RNA)
where:
Base-Base interactions energy: -289.848
where: short stacking energy: -120.188
Base-Backbone interact. energy: -0.184
local terms energy: -123.320575
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -37.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -405.789689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.789689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.789689 (E_RNA)
where:
Base-Base interactions energy: -286.966
where: short stacking energy: -121.627
Base-Backbone interact. energy: -0.377
local terms energy: -118.445795
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -35.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -410.760658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.760658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.760658 (E_RNA)
where:
Base-Base interactions energy: -286.675
where: short stacking energy: -115.581
Base-Backbone interact. energy: -0.083
local terms energy: -124.002745
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -26.524
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -35.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -396.837847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.837847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.837847 (E_RNA)
where:
Base-Base interactions energy: -277.918
where: short stacking energy: -119.586
Base-Backbone interact. energy: -0.822
local terms energy: -118.097229
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -17.531
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: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -401.500839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.500839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.500839 (E_RNA)
where:
Base-Base interactions energy: -284.009
where: short stacking energy: -122.083
Base-Backbone interact. energy: -0.022
local terms energy: -117.469409
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -36.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -389.841828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.841828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.841828 (E_RNA)
where:
Base-Base interactions energy: -269.870
where: short stacking energy: -110.574
Base-Backbone interact. energy: -0.064
local terms energy: -119.908158
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -32.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -386.081434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.081434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.081434 (E_RNA)
where:
Base-Base interactions energy: -277.554
where: short stacking energy: -109.902
Base-Backbone interact. energy: -0.058
local terms energy: -108.470057
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -31.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -99.020430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.020430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.020430 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -22.553
Base-Backbone interact. energy: -0.303
local terms energy: -68.053670
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: 3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -104.941115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.941115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.941115 (E_RNA)
where:
Base-Base interactions energy: -39.711
where: short stacking energy: -39.711
Base-Backbone interact. energy: -0.306
local terms energy: -64.924971
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -425.650581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.650581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.650581 (E_RNA)
where:
Base-Base interactions energy: -305.706
where: short stacking energy: -126.760
Base-Backbone interact. energy: -0.000
local terms energy: -119.944649
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -38.258
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: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -421.260119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.260119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.260119 (E_RNA)
where:
Base-Base interactions energy: -306.610
where: short stacking energy: -131.132
Base-Backbone interact. energy: -0.001
local terms energy: -114.649080
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -36.035
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: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -415.022323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.022323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.022323 (E_RNA)
where:
Base-Base interactions energy: -293.630
where: short stacking energy: -120.937
Base-Backbone interact. energy: -0.397
local terms energy: -120.995566
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -36.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -406.596491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.596491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.596491 (E_RNA)
where:
Base-Base interactions energy: -289.227
where: short stacking energy: -121.888
Base-Backbone interact. energy: -0.716
local terms energy: -116.653259
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -33.649
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: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -395.898081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.898081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.898081 (E_RNA)
where:
Base-Base interactions energy: -283.002
where: short stacking energy: -111.130
Base-Backbone interact. energy: -0.074
local terms energy: -112.821928
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -31.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -385.799020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.799020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.799020 (E_RNA)
where:
Base-Base interactions energy: -280.348
where: short stacking energy: -109.016
Base-Backbone interact. energy: -0.241
local terms energy: -105.210158
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -33.476
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: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -388.478316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.478316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.478316 (E_RNA)
where:
Base-Base interactions energy: -280.405
where: short stacking energy: -108.745
Base-Backbone interact. energy: -0.385
local terms energy: -107.688543
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -36.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -383.867910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.867910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.867910 (E_RNA)
where:
Base-Base interactions energy: -273.399
where: short stacking energy: -114.809
Base-Backbone interact. energy: 0.296
local terms energy: -110.765245
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -32.180
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: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -114.173871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.173871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.173871 (E_RNA)
where:
Base-Base interactions energy: -48.580
where: short stacking energy: -42.147
Base-Backbone interact. energy: 2.478
local terms energy: -68.071665
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -3.090
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: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -106.899526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.899526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.899526 (E_RNA)
where:
Base-Base interactions energy: -34.150
where: short stacking energy: -32.494
Base-Backbone interact. energy: -0.170
local terms energy: -72.579686
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -425.023716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.023716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.023716 (E_RNA)
where:
Base-Base interactions energy: -295.919
where: short stacking energy: -124.286
Base-Backbone interact. energy: 0.613
local terms energy: -129.717139
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -38.122
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: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -417.693114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.693114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.693114 (E_RNA)
where:
Base-Base interactions energy: -293.933
where: short stacking energy: -121.805
Base-Backbone interact. energy: -0.004
local terms energy: -123.756251
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -37.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -408.770894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.770894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.770894 (E_RNA)
where:
Base-Base interactions energy: -287.521
where: short stacking energy: -113.125
Base-Backbone interact. energy: -0.005
local terms energy: -121.244796
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -32.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -401.438024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.438024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.438024 (E_RNA)
where:
Base-Base interactions energy: -279.867
where: short stacking energy: -116.309
Base-Backbone interact. energy: -0.001
local terms energy: -121.570371
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -36.510
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: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -401.752957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.752957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.752957 (E_RNA)
where:
Base-Base interactions energy: -290.796
where: short stacking energy: -122.580
Base-Backbone interact. energy: -0.153
local terms energy: -110.804185
where:
bonds (distance) C4'-P energy: -24.998
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -399.786064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.786064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.786064 (E_RNA)
where:
Base-Base interactions energy: -287.678
where: short stacking energy: -116.037
Base-Backbone interact. energy: -0.011
local terms energy: -112.097275
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -36.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -389.081826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.081826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.081826 (E_RNA)
where:
Base-Base interactions energy: -273.395
where: short stacking energy: -103.979
Base-Backbone interact. energy: -0.013
local terms energy: -115.673903
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -34.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -372.784988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.784988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.784988 (E_RNA)
where:
Base-Base interactions energy: -259.986
where: short stacking energy: -102.379
Base-Backbone interact. energy: 0.372
local terms energy: -113.171588
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -31.984
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: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -109.130161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.130161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.130161 (E_RNA)
where:
Base-Base interactions energy: -33.989
where: short stacking energy: -31.107
Base-Backbone interact. energy: 0.947
local terms energy: -76.087413
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -114.976320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.976320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.976320 (E_RNA)
where:
Base-Base interactions energy: -56.214
where: short stacking energy: -45.586
Base-Backbone interact. energy: -0.584
local terms energy: -58.178264
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: 5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -419.174635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.174635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.174635 (E_RNA)
where:
Base-Base interactions energy: -295.389
where: short stacking energy: -122.448
Base-Backbone interact. energy: -0.002
local terms energy: -123.783021
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -37.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -407.371818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.371818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.371818 (E_RNA)
where:
Base-Base interactions energy: -291.392
where: short stacking energy: -115.484
Base-Backbone interact. energy: -0.035
local terms energy: -115.945093
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -34.335
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: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -410.843066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.843066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.843066 (E_RNA)
where:
Base-Base interactions energy: -291.532
where: short stacking energy: -123.173
Base-Backbone interact. energy: -0.405
local terms energy: -118.906051
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -37.461
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: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -398.745765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.745765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.745765 (E_RNA)
where:
Base-Base interactions energy: -279.780
where: short stacking energy: -114.218
Base-Backbone interact. energy: -0.611
local terms energy: -118.354846
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -32.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -408.510250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.510250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.510250 (E_RNA)
where:
Base-Base interactions energy: -280.955
where: short stacking energy: -114.841
Base-Backbone interact. energy: -0.728
local terms energy: -126.826751
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -19.296
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: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -394.709937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.709937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.709937 (E_RNA)
where:
Base-Base interactions energy: -286.092
where: short stacking energy: -115.172
Base-Backbone interact. energy: -0.578
local terms energy: -108.039605
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -25.542
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -33.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -383.030188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.030188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.030188 (E_RNA)
where:
Base-Base interactions energy: -278.451
where: short stacking energy: -114.344
Base-Backbone interact. energy: -0.314
local terms energy: -104.265471
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -34.409
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: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -359.710280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.710280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.710280 (E_RNA)
where:
Base-Base interactions energy: -266.060
where: short stacking energy: -112.562
Base-Backbone interact. energy: -0.002
local terms energy: -93.647380
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -30.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -110.762306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.762306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.762306 (E_RNA)
where:
Base-Base interactions energy: -41.005
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.306
local terms energy: -69.451510
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: 1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -111.597821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.597821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.597821 (E_RNA)
where:
Base-Base interactions energy: -41.456
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.045
local terms energy: -70.097801
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -10.269
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: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -420.974706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.974706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.974706 (E_RNA)
where:
Base-Base interactions energy: -299.407
where: short stacking energy: -121.505
Base-Backbone interact. energy: -0.003
local terms energy: -121.564980
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -36.527
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: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -417.197878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.197878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.197878 (E_RNA)
where:
Base-Base interactions energy: -293.289
where: short stacking energy: -122.729
Base-Backbone interact. energy: -0.110
local terms energy: -123.799069
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -36.479
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: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -406.609141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.609141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.609141 (E_RNA)
where:
Base-Base interactions energy: -287.936
where: short stacking energy: -115.596
Base-Backbone interact. energy: -0.373
local terms energy: -118.300848
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -36.359
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: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -405.952505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.952505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.952505 (E_RNA)
where:
Base-Base interactions energy: -294.358
where: short stacking energy: -127.082
Base-Backbone interact. energy: -0.005
local terms energy: -111.589683
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -37.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -402.407913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.407913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.407913 (E_RNA)
where:
Base-Base interactions energy: -290.552
where: short stacking energy: -122.684
Base-Backbone interact. energy: -0.001
local terms energy: -111.854803
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -392.105629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.105629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.105629 (E_RNA)
where:
Base-Base interactions energy: -271.727
where: short stacking energy: -112.043
Base-Backbone interact. energy: -0.299
local terms energy: -120.080076
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -35.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -364.116397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.116397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.116397 (E_RNA)
where:
Base-Base interactions energy: -259.911
where: short stacking energy: -100.136
Base-Backbone interact. energy: 0.506
local terms energy: -104.711898
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -28.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -344.422899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.422899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.422899 (E_RNA)
where:
Base-Base interactions energy: -246.934
where: short stacking energy: -100.734
Base-Backbone interact. energy: -0.034
local terms energy: -97.455203
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -27.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -114.028614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.028614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.028614 (E_RNA)
where:
Base-Base interactions energy: -44.802
where: short stacking energy: -37.790
Base-Backbone interact. energy: -0.600
local terms energy: -68.626188
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -6.950
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: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -110.716920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.716920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.716920 (E_RNA)
where:
Base-Base interactions energy: -46.310
where: short stacking energy: -34.893
Base-Backbone interact. energy: -0.524
local terms energy: -63.882832
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: 3.141
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: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -414.340624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.340624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.340624 (E_RNA)
where:
Base-Base interactions energy: -290.516
where: short stacking energy: -116.047
Base-Backbone interact. energy: -0.000
local terms energy: -123.823826
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -35.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -419.176664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.176664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.176664 (E_RNA)
where:
Base-Base interactions energy: -299.643
where: short stacking energy: -121.388
Base-Backbone interact. energy: -0.822
local terms energy: -118.711688
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -18.016
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: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -411.527551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.527551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.527551 (E_RNA)
where:
Base-Base interactions energy: -284.790
where: short stacking energy: -114.724
Base-Backbone interact. energy: 1.695
local terms energy: -128.432207
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -36.513
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: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -406.924975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.924975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.924975 (E_RNA)
where:
Base-Base interactions energy: -291.823
where: short stacking energy: -121.670
Base-Backbone interact. energy: 0.961
local terms energy: -116.062987
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -33.973
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: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -391.890560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.890560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.890560 (E_RNA)
where:
Base-Base interactions energy: -279.356
where: short stacking energy: -112.581
Base-Backbone interact. energy: -0.025
local terms energy: -112.509551
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -17.685
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: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -386.109761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.109761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.109761 (E_RNA)
where:
Base-Base interactions energy: -269.759
where: short stacking energy: -110.759
Base-Backbone interact. energy: -0.168
local terms energy: -116.182945
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -35.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -361.857575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.857575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.857575 (E_RNA)
where:
Base-Base interactions energy: -254.146
where: short stacking energy: -103.214
Base-Backbone interact. energy: -0.497
local terms energy: -107.214719
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -30.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -388.607180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.607180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.607180 (E_RNA)
where:
Base-Base interactions energy: -281.288
where: short stacking energy: -114.235
Base-Backbone interact. energy: -0.576
local terms energy: -106.742856
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -34.823
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: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -109.871189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.871189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.871189 (E_RNA)
where:
Base-Base interactions energy: -38.973
where: short stacking energy: -26.813
Base-Backbone interact. energy: -0.098
local terms energy: -70.800166
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: 1.569
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: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -100.944308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.944308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.944308 (E_RNA)
where:
Base-Base interactions energy: -30.960
where: short stacking energy: -28.896
Base-Backbone interact. energy: -0.293
local terms energy: -69.691261
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -11.518
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: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -425.503810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.503810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.503810 (E_RNA)
where:
Base-Base interactions energy: -297.389
where: short stacking energy: -121.236
Base-Backbone interact. energy: -0.582
local terms energy: -127.533106
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -34.107
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: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -413.364602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.364602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.364602 (E_RNA)
where:
Base-Base interactions energy: -297.367
where: short stacking energy: -126.776
Base-Backbone interact. energy: -0.018
local terms energy: -115.978774
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -37.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -405.240186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.240186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.240186 (E_RNA)
where:
Base-Base interactions energy: -281.854
where: short stacking energy: -115.897
Base-Backbone interact. energy: -0.402
local terms energy: -122.984605
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -35.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -406.366883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.366883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.366883 (E_RNA)
where:
Base-Base interactions energy: -282.693
where: short stacking energy: -117.336
Base-Backbone interact. energy: -0.003
local terms energy: -123.671495
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -38.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -402.146423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.146423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.146423 (E_RNA)
where:
Base-Base interactions energy: -288.716
where: short stacking energy: -125.101
Base-Backbone interact. energy: -1.657
local terms energy: -111.773536
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -31.836
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: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -389.300428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.300428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.300428 (E_RNA)
where:
Base-Base interactions energy: -286.934
where: short stacking energy: -117.968
Base-Backbone interact. energy: -0.745
local terms energy: -101.622041
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -32.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -373.137023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.137023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.137023 (E_RNA)
where:
Base-Base interactions energy: -274.531
where: short stacking energy: -115.160
Base-Backbone interact. energy: -0.020
local terms energy: -98.586178
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -28.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -371.437643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.437643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.437643 (E_RNA)
where:
Base-Base interactions energy: -265.918
where: short stacking energy: -107.075
Base-Backbone interact. energy: -0.620
local terms energy: -104.899227
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -32.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -102.708471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.708471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.708471 (E_RNA)
where:
Base-Base interactions energy: -47.468
where: short stacking energy: -40.338
Base-Backbone interact. energy: -1.003
local terms energy: -54.236791
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -0.630
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: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -106.979658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.979658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.979658 (E_RNA)
where:
Base-Base interactions energy: -34.913
where: short stacking energy: -33.021
Base-Backbone interact. energy: 2.855
local terms energy: -74.921142
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -422.384944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.384944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.384944 (E_RNA)
where:
Base-Base interactions energy: -299.099
where: short stacking energy: -122.899
Base-Backbone interact. energy: -0.020
local terms energy: -123.266024
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -37.141
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: 2, replica: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -419.378529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.378529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.378529 (E_RNA)
where:
Base-Base interactions energy: -296.174
where: short stacking energy: -122.440
Base-Backbone interact. energy: -0.199
local terms energy: -123.004861
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -37.945
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: 249
Temperature: 1.000000
Total energy: -413.863690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.863690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.863690 (E_RNA)
where:
Base-Base interactions energy: -296.737
where: short stacking energy: -122.638
Base-Backbone interact. energy: -0.589
local terms energy: -116.537337
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -36.784
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: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -401.098224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.098224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.098224 (E_RNA)
where:
Base-Base interactions energy: -281.108
where: short stacking energy: -113.592
Base-Backbone interact. energy: -0.006
local terms energy: -119.984206
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -32.136
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: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -399.733859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.733859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.733859 (E_RNA)
where:
Base-Base interactions energy: -283.775
where: short stacking energy: -118.526
Base-Backbone interact. energy: -0.229
local terms energy: -115.729702
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -24.608
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -33.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -392.168123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.168123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.168123 (E_RNA)
where:
Base-Base interactions energy: -279.004
where: short stacking energy: -106.945
Base-Backbone interact. energy: -0.963
local terms energy: -112.201324
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -30.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -391.450238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.450238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.450238 (E_RNA)
where:
Base-Base interactions energy: -275.685
where: short stacking energy: -112.576
Base-Backbone interact. energy: -0.457
local terms energy: -115.308223
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -16.876
tors. eta vs tors. theta energy: -32.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -384.370934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.370934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.370934 (E_RNA)
where:
Base-Base interactions energy: -283.429
where: short stacking energy: -114.993
Base-Backbone interact. energy: 2.979
local terms energy: -103.920627
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -31.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -116.164993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.164993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.164993 (E_RNA)
where:
Base-Base interactions energy: -50.262
where: short stacking energy: -36.826
Base-Backbone interact. energy: 5.577
local terms energy: -71.480144
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -117.008149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.008149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.008149 (E_RNA)
where:
Base-Base interactions energy: -39.525
where: short stacking energy: -27.196
Base-Backbone interact. energy: 1.644
local terms energy: -79.126863
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -2.826
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: 250
Temperature: 0.900000
Total energy: -418.915521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.915521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.915521 (E_RNA)
where:
Base-Base interactions energy: -298.704
where: short stacking energy: -123.422
Base-Backbone interact. energy: -0.618
local terms energy: -119.593478
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -36.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -416.305069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.305069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.305069 (E_RNA)
where:
Base-Base interactions energy: -299.007
where: short stacking energy: -120.738
Base-Backbone interact. energy: -0.513
local terms energy: -116.785502
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -18.506
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: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -407.729658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.729658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.729658 (E_RNA)
where:
Base-Base interactions energy: -288.849
where: short stacking energy: -116.295
Base-Backbone interact. energy: -0.229
local terms energy: -118.652578
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -33.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -407.623788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.623788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.623788 (E_RNA)
where:
Base-Base interactions energy: -290.366
where: short stacking energy: -117.496
Base-Backbone interact. energy: -0.008
local terms energy: -117.249761
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -36.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -399.216347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.216347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.216347 (E_RNA)
where:
Base-Base interactions energy: -278.489
where: short stacking energy: -119.291
Base-Backbone interact. energy: -0.377
local terms energy: -120.349548
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -33.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -394.755158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.755158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.755158 (E_RNA)
where:
Base-Base interactions energy: -284.172
where: short stacking energy: -114.477
Base-Backbone interact. energy: -0.103
local terms energy: -110.479810
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -32.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -391.755262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.755262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.755262 (E_RNA)
where:
Base-Base interactions energy: -279.841
where: short stacking energy: -111.357
Base-Backbone interact. energy: -0.015
local terms energy: -111.898948
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -33.320
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: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -390.202301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.202301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.202301 (E_RNA)
where:
Base-Base interactions energy: -270.831
where: short stacking energy: -107.881
Base-Backbone interact. energy: -0.054
local terms energy: -119.317986
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -36.285
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: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -115.785633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.785633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.785633 (E_RNA)
where:
Base-Base interactions energy: -48.906
where: short stacking energy: -43.938
Base-Backbone interact. energy: 2.081
local terms energy: -68.960659
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -111.430827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.430827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.430827 (E_RNA)
where:
Base-Base interactions energy: -52.189
where: short stacking energy: -34.837
Base-Backbone interact. energy: -0.700
local terms energy: -58.542144
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -4.734
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: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -416.120277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.120277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.120277 (E_RNA)
where:
Base-Base interactions energy: -301.214
where: short stacking energy: -125.323
Base-Backbone interact. energy: -0.620
local terms energy: -114.285957
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -35.485
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: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -418.555473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.555473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.555473 (E_RNA)
where:
Base-Base interactions energy: -294.336
where: short stacking energy: -119.006
Base-Backbone interact. energy: -0.345
local terms energy: -123.873959
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -37.462
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: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -411.069745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.069745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.069745 (E_RNA)
where:
Base-Base interactions energy: -290.490
where: short stacking energy: -123.154
Base-Backbone interact. energy: -0.183
local terms energy: -120.397588
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -34.817
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: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -401.377874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.377874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.377874 (E_RNA)
where:
Base-Base interactions energy: -287.583
where: short stacking energy: -118.847
Base-Backbone interact. energy: -0.002
local terms energy: -113.793094
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -35.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -395.274127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.274127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.274127 (E_RNA)
where:
Base-Base interactions energy: -284.561
where: short stacking energy: -113.029
Base-Backbone interact. energy: 0.712
local terms energy: -111.425266
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -32.744
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: 251
Temperature: 1.150000
Total energy: -390.548325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.548325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.548325 (E_RNA)
where:
Base-Base interactions energy: -273.701
where: short stacking energy: -113.041
Base-Backbone interact. energy: -0.007
local terms energy: -116.840200
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -35.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -385.670550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.670550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.670550 (E_RNA)
where:
Base-Base interactions energy: -284.756
where: short stacking energy: -118.858
Base-Backbone interact. energy: -0.006
local terms energy: -100.908640
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -35.970
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: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -380.700839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.700839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.700839 (E_RNA)
where:
Base-Base interactions energy: -269.092
where: short stacking energy: -111.889
Base-Backbone interact. energy: -0.739
local terms energy: -110.869156
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -34.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -145.727892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.727892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.727892 (E_RNA)
where:
Base-Base interactions energy: -67.605
where: short stacking energy: -39.150
Base-Backbone interact. energy: 1.045
local terms energy: -79.168267
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -108.640976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.640976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.640976 (E_RNA)
where:
Base-Base interactions energy: -34.105
where: short stacking energy: -31.127
Base-Backbone interact. energy: -1.130
local terms energy: -73.406022
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -424.924592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.924592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.924592 (E_RNA)
where:
Base-Base interactions energy: -303.761
where: short stacking energy: -126.136
Base-Backbone interact. energy: -0.240
local terms energy: -120.923113
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -38.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -412.594047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.594047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.594047 (E_RNA)
where:
Base-Base interactions energy: -295.108
where: short stacking energy: -115.841
Base-Backbone interact. energy: -0.007
local terms energy: -117.479007
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -35.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -412.832060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.832060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.832060 (E_RNA)
where:
Base-Base interactions energy: -288.347
where: short stacking energy: -121.913
Base-Backbone interact. energy: -0.004
local terms energy: -124.480243
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -38.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -405.129970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.129970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.129970 (E_RNA)
where:
Base-Base interactions energy: -287.416
where: short stacking energy: -124.210
Base-Backbone interact. energy: 0.196
local terms energy: -117.910123
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -36.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -390.041083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.041083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.041083 (E_RNA)
where:
Base-Base interactions energy: -268.987
where: short stacking energy: -105.978
Base-Backbone interact. energy: -0.030
local terms energy: -121.023746
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -35.910
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: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -392.766048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.766048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.766048 (E_RNA)
where:
Base-Base interactions energy: -278.140
where: short stacking energy: -115.397
Base-Backbone interact. energy: -0.003
local terms energy: -114.623366
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -34.389
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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -393.352911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.352911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.352911 (E_RNA)
where:
Base-Base interactions energy: -280.695
where: short stacking energy: -116.904
Base-Backbone interact. energy: -0.212
local terms energy: -112.446435
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -37.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -383.536167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.536167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.536167 (E_RNA)
where:
Base-Base interactions energy: -269.382
where: short stacking energy: -107.197
Base-Backbone interact. energy: -0.284
local terms energy: -113.870524
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -24.697
flat angles P-C4'-P energy: -21.178
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: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -112.139135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.139135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.139135 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -27.886
Base-Backbone interact. energy: -0.217
local terms energy: -77.528251
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -13.265
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: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -157.067559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.067559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.067559 (E_RNA)
where:
Base-Base interactions energy: -84.916
where: short stacking energy: -39.965
Base-Backbone interact. energy: 1.316
local terms energy: -73.466932
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -4.291
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: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -422.246044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.246044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.246044 (E_RNA)
where:
Base-Base interactions energy: -295.319
where: short stacking energy: -120.704
Base-Backbone interact. energy: -0.004
local terms energy: -126.922972
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -37.088
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: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -413.140559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.140559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.140559 (E_RNA)
where:
Base-Base interactions energy: -296.173
where: short stacking energy: -124.108
Base-Backbone interact. energy: -0.014
local terms energy: -116.953665
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -34.416
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: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -416.795961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.795961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.795961 (E_RNA)
where:
Base-Base interactions energy: -295.208
where: short stacking energy: -120.410
Base-Backbone interact. energy: -0.004
local terms energy: -121.584138
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -37.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -406.388672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.388672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.388672 (E_RNA)
where:
Base-Base interactions energy: -291.650
where: short stacking energy: -117.830
Base-Backbone interact. energy: -0.272
local terms energy: -114.466704
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -35.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -404.583585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.583585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.583585 (E_RNA)
where:
Base-Base interactions energy: -291.077
where: short stacking energy: -109.968
Base-Backbone interact. energy: 0.315
local terms energy: -113.821536
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -31.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -394.460353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.460353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.460353 (E_RNA)
where:
Base-Base interactions energy: -278.713
where: short stacking energy: -117.993
Base-Backbone interact. energy: -0.007
local terms energy: -115.741046
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -18.849
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: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -399.350991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.350991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.350991 (E_RNA)
where:
Base-Base interactions energy: -286.711
where: short stacking energy: -113.971
Base-Backbone interact. energy: -0.002
local terms energy: -112.637866
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -35.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -379.804080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.804080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.804080 (E_RNA)
where:
Base-Base interactions energy: -272.984
where: short stacking energy: -109.997
Base-Backbone interact. energy: -0.371
local terms energy: -106.448560
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -33.856
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: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -108.580641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.580641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.580641 (E_RNA)
where:
Base-Base interactions energy: -49.235
where: short stacking energy: -41.210
Base-Backbone interact. energy: 0.505
local terms energy: -59.850107
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -2.477
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: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -110.328944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.328944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.328944 (E_RNA)
where:
Base-Base interactions energy: -49.503
where: short stacking energy: -40.515
Base-Backbone interact. energy: -1.157
local terms energy: -59.669154
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: 0.304
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: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -425.103110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.103110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.103110 (E_RNA)
where:
Base-Base interactions energy: -294.902
where: short stacking energy: -117.627
Base-Backbone interact. energy: -1.064
local terms energy: -129.137441
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -36.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -417.618728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.618728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.618728 (E_RNA)
where:
Base-Base interactions energy: -298.065
where: short stacking energy: -120.134
Base-Backbone interact. energy: -0.042
local terms energy: -119.512305
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -33.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -413.283797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.283797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.283797 (E_RNA)
where:
Base-Base interactions energy: -291.446
where: short stacking energy: -115.464
Base-Backbone interact. energy: -0.030
local terms energy: -121.807662
where:
bonds (distance) C4'-P energy: -25.871
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -15.927
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: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -410.214822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.214822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.214822 (E_RNA)
where:
Base-Base interactions energy: -294.369
where: short stacking energy: -121.747
Base-Backbone interact. energy: -0.218
local terms energy: -115.628763
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -38.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -396.688617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.688617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.688617 (E_RNA)
where:
Base-Base interactions energy: -275.874
where: short stacking energy: -111.913
Base-Backbone interact. energy: -0.375
local terms energy: -120.438720
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -19.005
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -402.607482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.607482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.607482 (E_RNA)
where:
Base-Base interactions energy: -285.989
where: short stacking energy: -115.929
Base-Backbone interact. energy: -0.015
local terms energy: -116.603904
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -31.374
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: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -380.324481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.324481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.324481 (E_RNA)
where:
Base-Base interactions energy: -273.954
where: short stacking energy: -113.438
Base-Backbone interact. energy: 0.182
local terms energy: -106.552577
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -34.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -381.344538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.344538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.344538 (E_RNA)
where:
Base-Base interactions energy: -278.579
where: short stacking energy: -111.813
Base-Backbone interact. energy: 1.509
local terms energy: -104.274283
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -32.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -115.145533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.145533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.145533 (E_RNA)
where:
Base-Base interactions energy: -46.031
where: short stacking energy: -45.379
Base-Backbone interact. energy: -0.293
local terms energy: -68.821712
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -2.321
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: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -113.151336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.151336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.151336 (E_RNA)
where:
Base-Base interactions energy: -37.866
where: short stacking energy: -28.689
Base-Backbone interact. energy: -0.793
local terms energy: -74.492785
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -5.301
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: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -424.713079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.713079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.713079 (E_RNA)
where:
Base-Base interactions energy: -298.515
where: short stacking energy: -120.648
Base-Backbone interact. energy: -0.000
local terms energy: -126.197946
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -35.702
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: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -409.694801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.694801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.694801 (E_RNA)
where:
Base-Base interactions energy: -289.553
where: short stacking energy: -122.214
Base-Backbone interact. energy: -0.035
local terms energy: -120.107383
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -29.608
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -34.368
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: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -407.531044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.531044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.531044 (E_RNA)
where:
Base-Base interactions energy: -286.412
where: short stacking energy: -119.731
Base-Backbone interact. energy: -0.001
local terms energy: -121.118870
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -37.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -407.635775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.635775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.635775 (E_RNA)
where:
Base-Base interactions energy: -286.911
where: short stacking energy: -116.210
Base-Backbone interact. energy: -0.003
local terms energy: -120.722480
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -37.745
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: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -410.273620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.273620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.273620 (E_RNA)
where:
Base-Base interactions energy: -290.705
where: short stacking energy: -119.538
Base-Backbone interact. energy: -0.009
local terms energy: -119.559903
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -20.804
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: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -405.502184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.502184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.502184 (E_RNA)
where:
Base-Base interactions energy: -292.624
where: short stacking energy: -115.456
Base-Backbone interact. energy: -0.026
local terms energy: -112.852310
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -33.334
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: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -378.435083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.435083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.435083 (E_RNA)
where:
Base-Base interactions energy: -265.787
where: short stacking energy: -101.279
Base-Backbone interact. energy: -0.030
local terms energy: -112.617749
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -30.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -388.143697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.143697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.143697 (E_RNA)
where:
Base-Base interactions energy: -278.535
where: short stacking energy: -113.367
Base-Backbone interact. energy: -0.008
local terms energy: -109.601101
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -26.983
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -38.690
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: 255
Temperature: 1.300000
Total energy: -103.060989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.060989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.060989 (E_RNA)
where:
Base-Base interactions energy: -38.792
where: short stacking energy: -25.369
Base-Backbone interact. energy: -0.383
local terms energy: -63.886564
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: 3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -112.104664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.104664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.104664 (E_RNA)
where:
Base-Base interactions energy: -43.688
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.457
local terms energy: -67.960011
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: 8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -422.260780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.260780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.260780 (E_RNA)
where:
Base-Base interactions energy: -296.884
where: short stacking energy: -123.100
Base-Backbone interact. energy: -0.715
local terms energy: -124.661687
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -26.966
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -33.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -413.308083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.308083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.308083 (E_RNA)
where:
Base-Base interactions energy: -289.685
where: short stacking energy: -112.415
Base-Backbone interact. energy: -0.276
local terms energy: -123.347463
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -18.375
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: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -412.219838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.219838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.219838 (E_RNA)
where:
Base-Base interactions energy: -289.363
where: short stacking energy: -121.194
Base-Backbone interact. energy: -0.119
local terms energy: -122.737840
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -35.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -400.926635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.926635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.926635 (E_RNA)
where:
Base-Base interactions energy: -276.819
where: short stacking energy: -107.788
Base-Backbone interact. energy: -1.247
local terms energy: -122.860543
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -20.636
tors. eta vs tors. theta energy: -32.548
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -398.873873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.873873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.873873 (E_RNA)
where:
Base-Base interactions energy: -287.969
where: short stacking energy: -122.551
Base-Backbone interact. energy: -0.012
local terms energy: -110.892431
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -36.488
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: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -390.362007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.362007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.362007 (E_RNA)
where:
Base-Base interactions energy: -282.560
where: short stacking energy: -114.724
Base-Backbone interact. energy: -0.421
local terms energy: -107.381450
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -34.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -387.315033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.315033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.315033 (E_RNA)
where:
Base-Base interactions energy: -276.685
where: short stacking energy: -110.539
Base-Backbone interact. energy: -0.020
local terms energy: -110.609328
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -36.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -382.162832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.162832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.162832 (E_RNA)
where:
Base-Base interactions energy: -280.273
where: short stacking energy: -113.454
Base-Backbone interact. energy: -0.061
local terms energy: -101.828881
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -32.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -117.516558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.516558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.516558 (E_RNA)
where:
Base-Base interactions energy: -38.990
where: short stacking energy: -32.978
Base-Backbone interact. energy: -0.205
local terms energy: -78.321606
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -111.217307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.217307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.217307 (E_RNA)
where:
Base-Base interactions energy: -48.454
where: short stacking energy: -43.091
Base-Backbone interact. energy: -0.393
local terms energy: -62.371123
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -1.941
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -421.562372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.562372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.562372 (E_RNA)
where:
Base-Base interactions energy: -296.710
where: short stacking energy: -120.442
Base-Backbone interact. energy: -0.267
local terms energy: -124.585253
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -38.676
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: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -417.893051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.893051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.893051 (E_RNA)
where:
Base-Base interactions energy: -293.518
where: short stacking energy: -121.274
Base-Backbone interact. energy: -0.245
local terms energy: -124.130233
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -36.315
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: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -415.620152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.620152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.620152 (E_RNA)
where:
Base-Base interactions energy: -284.567
where: short stacking energy: -114.288
Base-Backbone interact. energy: -0.334
local terms energy: -130.718420
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -17.897
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: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -398.492911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.492911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.492911 (E_RNA)
where:
Base-Base interactions energy: -289.524
where: short stacking energy: -117.383
Base-Backbone interact. energy: -1.099
local terms energy: -107.869697
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -32.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -407.255059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.255059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.255059 (E_RNA)
where:
Base-Base interactions energy: -288.538
where: short stacking energy: -121.079
Base-Backbone interact. energy: -0.494
local terms energy: -118.222936
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -35.092
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: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -397.924912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.924912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.924912 (E_RNA)
where:
Base-Base interactions energy: -285.377
where: short stacking energy: -115.946
Base-Backbone interact. energy: -0.002
local terms energy: -112.545572
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -36.824
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: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -393.193909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.193909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.193909 (E_RNA)
where:
Base-Base interactions energy: -274.144
where: short stacking energy: -105.513
Base-Backbone interact. energy: -0.578
local terms energy: -118.471913
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -35.376
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: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -381.977596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.977596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.977596 (E_RNA)
where:
Base-Base interactions energy: -273.601
where: short stacking energy: -113.398
Base-Backbone interact. energy: -0.239
local terms energy: -108.136868
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -31.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -132.431859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.431859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.431859 (E_RNA)
where:
Base-Base interactions energy: -47.894
where: short stacking energy: -41.301
Base-Backbone interact. energy: 0.207
local terms energy: -84.744902
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -6.243
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: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -107.677967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.677967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.677967 (E_RNA)
where:
Base-Base interactions energy: -47.252
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.374
local terms energy: -60.051926
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -423.649707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.649707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.649707 (E_RNA)
where:
Base-Base interactions energy: -300.762
where: short stacking energy: -120.676
Base-Backbone interact. energy: 0.794
local terms energy: -123.682120
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -36.718
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: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -418.869593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.869593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.869593 (E_RNA)
where:
Base-Base interactions energy: -292.411
where: short stacking energy: -119.151
Base-Backbone interact. energy: -0.140
local terms energy: -126.318350
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -26.762
flat angles P-C4'-P energy: -20.652
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: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -415.516308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.516308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.516308 (E_RNA)
where:
Base-Base interactions energy: -290.338
where: short stacking energy: -121.844
Base-Backbone interact. energy: 0.023
local terms energy: -125.202204
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -35.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -399.793345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.793345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.793345 (E_RNA)
where:
Base-Base interactions energy: -285.480
where: short stacking energy: -118.282
Base-Backbone interact. energy: -0.394
local terms energy: -113.919377
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -35.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -398.613068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.613068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.613068 (E_RNA)
where:
Base-Base interactions energy: -288.615
where: short stacking energy: -118.036
Base-Backbone interact. energy: -0.046
local terms energy: -109.952354
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -34.139
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: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -389.583519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.583519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.583519 (E_RNA)
where:
Base-Base interactions energy: -273.786
where: short stacking energy: -104.791
Base-Backbone interact. energy: 0.500
local terms energy: -116.297430
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -33.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -394.647620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.647620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.647620 (E_RNA)
where:
Base-Base interactions energy: -277.978
where: short stacking energy: -113.795
Base-Backbone interact. energy: -0.193
local terms energy: -116.476517
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -36.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -381.245166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.245166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.245166 (E_RNA)
where:
Base-Base interactions energy: -279.040
where: short stacking energy: -112.160
Base-Backbone interact. energy: -0.209
local terms energy: -101.996697
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -32.489
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: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -112.828607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.828607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.828607 (E_RNA)
where:
Base-Base interactions energy: -42.179
where: short stacking energy: -33.158
Base-Backbone interact. energy: -0.561
local terms energy: -70.088264
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -4.826
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: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -107.288530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.288530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.288530 (E_RNA)
where:
Base-Base interactions energy: -38.955
where: short stacking energy: -36.605
Base-Backbone interact. energy: -0.430
local terms energy: -67.902873
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -424.095734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.095734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.095734 (E_RNA)
where:
Base-Base interactions energy: -300.396
where: short stacking energy: -120.170
Base-Backbone interact. energy: -0.187
local terms energy: -123.512461
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -37.931
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: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -419.615963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.615963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.615963 (E_RNA)
where:
Base-Base interactions energy: -295.945
where: short stacking energy: -126.669
Base-Backbone interact. energy: -0.002
local terms energy: -123.669385
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -37.538
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: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -412.403901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.403901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.403901 (E_RNA)
where:
Base-Base interactions energy: -293.723
where: short stacking energy: -126.456
Base-Backbone interact. energy: -0.233
local terms energy: -118.447918
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -36.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -407.219291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.219291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.219291 (E_RNA)
where:
Base-Base interactions energy: -286.848
where: short stacking energy: -120.337
Base-Backbone interact. energy: 1.792
local terms energy: -122.163428
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -36.563
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: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -391.637384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.637384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.637384 (E_RNA)
where:
Base-Base interactions energy: -275.272
where: short stacking energy: -112.851
Base-Backbone interact. energy: -0.981
local terms energy: -115.384325
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -34.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -386.530060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.530060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.530060 (E_RNA)
where:
Base-Base interactions energy: -272.204
where: short stacking energy: -117.800
Base-Backbone interact. energy: -0.055
local terms energy: -114.270660
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -34.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -374.988117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.988117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.988117 (E_RNA)
where:
Base-Base interactions energy: -270.375
where: short stacking energy: -110.415
Base-Backbone interact. energy: 1.315
local terms energy: -105.927584
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -30.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -382.229786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.229786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.229786 (E_RNA)
where:
Base-Base interactions energy: -284.415
where: short stacking energy: -115.892
Base-Backbone interact. energy: 1.786
local terms energy: -99.600922
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -25.547
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -33.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -130.597564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.597564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.597564 (E_RNA)
where:
Base-Base interactions energy: -51.584
where: short stacking energy: -44.927
Base-Backbone interact. energy: -0.428
local terms energy: -78.586270
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -18.543
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: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -99.686439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.686439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.686439 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -28.459
Base-Backbone interact. energy: 0.992
local terms energy: -68.388172
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 1.597
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: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -416.003126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.003126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.003126 (E_RNA)
where:
Base-Base interactions energy: -298.105
where: short stacking energy: -123.740
Base-Backbone interact. energy: -0.572
local terms energy: -117.326959
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -24.160
flat angles C4'-P-C4' energy: -25.466
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -34.141
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: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -416.907580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.907580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.907580 (E_RNA)
where:
Base-Base interactions energy: -291.623
where: short stacking energy: -115.190
Base-Backbone interact. energy: -0.005
local terms energy: -125.279452
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -34.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -409.429272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.429272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.429272 (E_RNA)
where:
Base-Base interactions energy: -287.616
where: short stacking energy: -117.535
Base-Backbone interact. energy: -0.601
local terms energy: -121.212374
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -35.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -407.845245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.845245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.845245 (E_RNA)
where:
Base-Base interactions energy: -288.574
where: short stacking energy: -116.116
Base-Backbone interact. energy: -0.628
local terms energy: -118.642925
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -36.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -395.391035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.391035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.391035 (E_RNA)
where:
Base-Base interactions energy: -276.907
where: short stacking energy: -113.227
Base-Backbone interact. energy: -0.584
local terms energy: -117.899488
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -31.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -398.350293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.350293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.350293 (E_RNA)
where:
Base-Base interactions energy: -280.688
where: short stacking energy: -114.222
Base-Backbone interact. energy: -0.441
local terms energy: -117.221697
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -14.457
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: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -387.235044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.235044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.235044 (E_RNA)
where:
Base-Base interactions energy: -279.254
where: short stacking energy: -112.538
Base-Backbone interact. energy: 0.006
local terms energy: -107.986850
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -33.645
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: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -358.309751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.309751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.309751 (E_RNA)
where:
Base-Base interactions energy: -269.284
where: short stacking energy: -108.124
Base-Backbone interact. energy: -0.003
local terms energy: -89.022617
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -30.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -111.768660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.768660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.768660 (E_RNA)
where:
Base-Base interactions energy: -33.281
where: short stacking energy: -31.103
Base-Backbone interact. energy: -0.527
local terms energy: -77.959968
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: 1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -112.165528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.165528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.165528 (E_RNA)
where:
Base-Base interactions energy: -55.821
where: short stacking energy: -32.613
Base-Backbone interact. energy: -0.286
local terms energy: -56.058948
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: 1.864
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: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -421.166600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.166600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.166600 (E_RNA)
where:
Base-Base interactions energy: -293.999
where: short stacking energy: -120.320
Base-Backbone interact. energy: -0.001
local terms energy: -127.167038
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -35.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -417.024712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.024712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.024712 (E_RNA)
where:
Base-Base interactions energy: -296.920
where: short stacking energy: -121.804
Base-Backbone interact. energy: -0.001
local terms energy: -120.103739
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: -35.921
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: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -405.136356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.136356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.136356 (E_RNA)
where:
Base-Base interactions energy: -289.033
where: short stacking energy: -115.022
Base-Backbone interact. energy: -1.000
local terms energy: -115.103130
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -33.943
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: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -405.211168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.211168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.211168 (E_RNA)
where:
Base-Base interactions energy: -292.316
where: short stacking energy: -122.989
Base-Backbone interact. energy: -0.305
local terms energy: -112.589611
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -37.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -407.487788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.487788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.487788 (E_RNA)
where:
Base-Base interactions energy: -288.412
where: short stacking energy: -117.671
Base-Backbone interact. energy: -0.001
local terms energy: -119.074629
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -19.913
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -35.228
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: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -390.296063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.296063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.296063 (E_RNA)
where:
Base-Base interactions energy: -272.538
where: short stacking energy: -108.920
Base-Backbone interact. energy: -0.075
local terms energy: -117.682709
where:
bonds (distance) C4'-P energy: -25.174
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -14.288
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: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -387.604739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.604739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.604739 (E_RNA)
where:
Base-Base interactions energy: -276.625
where: short stacking energy: -118.026
Base-Backbone interact. energy: -0.004
local terms energy: -110.975865
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -32.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -391.156613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.156613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.156613 (E_RNA)
where:
Base-Base interactions energy: -279.437
where: short stacking energy: -120.191
Base-Backbone interact. energy: -0.016
local terms energy: -111.702928
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -37.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -116.127211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.127211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.127211 (E_RNA)
where:
Base-Base interactions energy: -44.628
where: short stacking energy: -40.366
Base-Backbone interact. energy: -0.217
local terms energy: -71.283172
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -102.510434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.510434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.510434 (E_RNA)
where:
Base-Base interactions energy: -50.719
where: short stacking energy: -46.236
Base-Backbone interact. energy: -0.932
local terms energy: -50.859957
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -424.107850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.107850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.107850 (E_RNA)
where:
Base-Base interactions energy: -295.231
where: short stacking energy: -115.362
Base-Backbone interact. energy: -0.002
local terms energy: -128.874227
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -28.212
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -36.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -417.523270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.523270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.523270 (E_RNA)
where:
Base-Base interactions energy: -287.732
where: short stacking energy: -122.239
Base-Backbone interact. energy: -0.011
local terms energy: -129.780381
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -20.095
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: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -409.803480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.803480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.803480 (E_RNA)
where:
Base-Base interactions energy: -293.619
where: short stacking energy: -115.106
Base-Backbone interact. energy: -0.017
local terms energy: -116.167133
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -34.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -402.383118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.383118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.383118 (E_RNA)
where:
Base-Base interactions energy: -282.402
where: short stacking energy: -118.606
Base-Backbone interact. energy: -0.342
local terms energy: -119.638709
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -32.783
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: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -400.202298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.202298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.202298 (E_RNA)
where:
Base-Base interactions energy: -286.852
where: short stacking energy: -114.037
Base-Backbone interact. energy: 0.040
local terms energy: -113.390537
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -31.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -401.582573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.582573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.582573 (E_RNA)
where:
Base-Base interactions energy: -280.590
where: short stacking energy: -122.171
Base-Backbone interact. energy: 0.092
local terms energy: -121.084443
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -33.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -376.503663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.503663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.503663 (E_RNA)
where:
Base-Base interactions energy: -275.156
where: short stacking energy: -110.960
Base-Backbone interact. energy: 0.924
local terms energy: -102.271890
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -31.994
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: 262
Temperature: 1.250000
Total energy: -378.362160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.362160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.362160 (E_RNA)
where:
Base-Base interactions energy: -273.547
where: short stacking energy: -109.885
Base-Backbone interact. energy: -0.123
local terms energy: -104.692589
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -29.823
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: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -128.058264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.058264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.058264 (E_RNA)
where:
Base-Base interactions energy: -46.868
where: short stacking energy: -46.868
Base-Backbone interact. energy: -0.058
local terms energy: -81.132803
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -7.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -99.751457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.751457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.751457 (E_RNA)
where:
Base-Base interactions energy: -41.112
where: short stacking energy: -28.887
Base-Backbone interact. energy: 1.042
local terms energy: -59.681494
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: 8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -422.063923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.063923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.063923 (E_RNA)
where:
Base-Base interactions energy: -297.325
where: short stacking energy: -121.137
Base-Backbone interact. energy: -0.001
local terms energy: -124.737678
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -36.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -420.851772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.851772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.851772 (E_RNA)
where:
Base-Base interactions energy: -296.322
where: short stacking energy: -120.705
Base-Backbone interact. energy: -0.046
local terms energy: -124.483466
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -33.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -413.525109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.525109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.525109 (E_RNA)
where:
Base-Base interactions energy: -300.363
where: short stacking energy: -124.322
Base-Backbone interact. energy: -0.001
local terms energy: -113.160356
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -37.611
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: 4, replica: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -400.972145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.972145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.972145 (E_RNA)
where:
Base-Base interactions energy: -277.141
where: short stacking energy: -112.595
Base-Backbone interact. energy: 0.723
local terms energy: -124.554785
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -37.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -401.326336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.326336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.326336 (E_RNA)
where:
Base-Base interactions energy: -282.911
where: short stacking energy: -118.050
Base-Backbone interact. energy: -0.112
local terms energy: -118.303118
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -33.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -403.217950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.217950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.217950 (E_RNA)
where:
Base-Base interactions energy: -292.040
where: short stacking energy: -117.271
Base-Backbone interact. energy: -0.005
local terms energy: -111.173180
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -31.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -374.699944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.699944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.699944 (E_RNA)
where:
Base-Base interactions energy: -266.918
where: short stacking energy: -110.965
Base-Backbone interact. energy: -0.012
local terms energy: -107.769924
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -14.736
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: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -380.852210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.852210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.852210 (E_RNA)
where:
Base-Base interactions energy: -273.336
where: short stacking energy: -105.564
Base-Backbone interact. energy: 0.585
local terms energy: -108.101200
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -26.112
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -31.090
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: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -130.082854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.082854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.082854 (E_RNA)
where:
Base-Base interactions energy: -52.650
where: short stacking energy: -50.141
Base-Backbone interact. energy: -0.490
local terms energy: -76.942602
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -13.460
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: 263
Temperature: 1.350000
Total energy: -115.571382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.571382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.571382 (E_RNA)
where:
Base-Base interactions energy: -48.818
where: short stacking energy: -48.818
Base-Backbone interact. energy: -0.265
local terms energy: -66.487825
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -423.805851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.805851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.805851 (E_RNA)
where:
Base-Base interactions energy: -298.694
where: short stacking energy: -122.073
Base-Backbone interact. energy: 0.575
local terms energy: -125.687086
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -36.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -414.574144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.574144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.574144 (E_RNA)
where:
Base-Base interactions energy: -287.471
where: short stacking energy: -118.558
Base-Backbone interact. energy: 0.264
local terms energy: -127.367177
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -35.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -418.092772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.092772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.092772 (E_RNA)
where:
Base-Base interactions energy: -289.663
where: short stacking energy: -127.017
Base-Backbone interact. energy: -0.001
local terms energy: -128.429318
where:
bonds (distance) C4'-P energy: -24.319
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -37.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -404.863788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.863788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.863788 (E_RNA)
where:
Base-Base interactions energy: -284.851
where: short stacking energy: -114.866
Base-Backbone interact. energy: 0.641
local terms energy: -120.654180
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -34.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -401.359367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.359367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.359367 (E_RNA)
where:
Base-Base interactions energy: -289.812
where: short stacking energy: -121.640
Base-Backbone interact. energy: -0.027
local terms energy: -111.519850
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -36.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -393.003482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.003482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.003482 (E_RNA)
where:
Base-Base interactions energy: -274.285
where: short stacking energy: -104.290
Base-Backbone interact. energy: -0.577
local terms energy: -118.140695
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -30.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -376.484394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.484394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.484394 (E_RNA)
where:
Base-Base interactions energy: -268.201
where: short stacking energy: -108.895
Base-Backbone interact. energy: -0.029
local terms energy: -108.253783
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -33.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -381.948481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.948481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.948481 (E_RNA)
where:
Base-Base interactions energy: -272.570
where: short stacking energy: -110.326
Base-Backbone interact. energy: -0.495
local terms energy: -108.884357
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -31.593
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: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -102.701551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.701551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.701551 (E_RNA)
where:
Base-Base interactions energy: -50.370
where: short stacking energy: -50.370
Base-Backbone interact. energy: -0.131
local terms energy: -52.200169
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -133.792747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.792747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.792747 (E_RNA)
where:
Base-Base interactions energy: -63.641
where: short stacking energy: -30.543
Base-Backbone interact. energy: -1.738
local terms energy: -68.413468
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -11.948
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: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -422.918896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.918896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.918896 (E_RNA)
where:
Base-Base interactions energy: -298.512
where: short stacking energy: -126.992
Base-Backbone interact. energy: -0.001
local terms energy: -124.405253
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -38.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -411.435317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.435317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.435317 (E_RNA)
where:
Base-Base interactions energy: -300.980
where: short stacking energy: -126.718
Base-Backbone interact. energy: -0.188
local terms energy: -110.267601
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -36.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -413.403339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.403339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.403339 (E_RNA)
where:
Base-Base interactions energy: -290.356
where: short stacking energy: -115.424
Base-Backbone interact. energy: -0.002
local terms energy: -123.045657
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -33.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -404.411279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.411279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.411279 (E_RNA)
where:
Base-Base interactions energy: -288.642
where: short stacking energy: -121.411
Base-Backbone interact. energy: -0.001
local terms energy: -115.767929
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -33.671
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: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -393.914249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.914249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.914249 (E_RNA)
where:
Base-Base interactions energy: -281.385
where: short stacking energy: -111.601
Base-Backbone interact. energy: -0.323
local terms energy: -112.205934
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -35.971
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: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -372.319248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.319248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.319248 (E_RNA)
where:
Base-Base interactions energy: -261.931
where: short stacking energy: -104.327
Base-Backbone interact. energy: -0.447
local terms energy: -109.941382
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -13.637
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: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -389.774860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.774860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.774860 (E_RNA)
where:
Base-Base interactions energy: -278.590
where: short stacking energy: -119.470
Base-Backbone interact. energy: -0.043
local terms energy: -111.142427
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -11.550
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: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -387.607245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.607245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.607245 (E_RNA)
where:
Base-Base interactions energy: -271.772
where: short stacking energy: -113.528
Base-Backbone interact. energy: -0.241
local terms energy: -115.593732
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -34.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -117.635713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.635713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.635713 (E_RNA)
where:
Base-Base interactions energy: -47.127
where: short stacking energy: -39.262
Base-Backbone interact. energy: -0.475
local terms energy: -70.034016
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -136.461231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.461231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.461231 (E_RNA)
where:
Base-Base interactions energy: -68.833
where: short stacking energy: -37.252
Base-Backbone interact. energy: -1.303
local terms energy: -66.325577
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: 4.169
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: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -422.852552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.852552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.852552 (E_RNA)
where:
Base-Base interactions energy: -299.274
where: short stacking energy: -123.881
Base-Backbone interact. energy: -0.521
local terms energy: -123.057352
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -36.265
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: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -420.752438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.752438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.752438 (E_RNA)
where:
Base-Base interactions energy: -300.851
where: short stacking energy: -126.212
Base-Backbone interact. energy: -0.157
local terms energy: -119.744409
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -37.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -404.975716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.975716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.975716 (E_RNA)
where:
Base-Base interactions energy: -291.639
where: short stacking energy: -120.698
Base-Backbone interact. energy: 0.312
local terms energy: -113.648384
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -22.131
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -34.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -407.436969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.436969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.436969 (E_RNA)
where:
Base-Base interactions energy: -280.171
where: short stacking energy: -118.469
Base-Backbone interact. energy: -0.004
local terms energy: -127.262260
where:
bonds (distance) C4'-P energy: -24.969
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -37.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -383.171581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.171581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.171581 (E_RNA)
where:
Base-Base interactions energy: -270.541
where: short stacking energy: -105.150
Base-Backbone interact. energy: 0.070
local terms energy: -112.700806
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -31.330
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: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -388.803545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.803545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.803545 (E_RNA)
where:
Base-Base interactions energy: -285.105
where: short stacking energy: -110.983
Base-Backbone interact. energy: -0.136
local terms energy: -103.562656
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -30.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -390.542979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.542979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.542979 (E_RNA)
where:
Base-Base interactions energy: -283.533
where: short stacking energy: -117.299
Base-Backbone interact. energy: 0.036
local terms energy: -107.046107
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -31.710
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: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -398.574886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.574886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.574886 (E_RNA)
where:
Base-Base interactions energy: -287.921
where: short stacking energy: -121.200
Base-Backbone interact. energy: -0.623
local terms energy: -110.030986
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -34.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -129.072042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.072042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.072042 (E_RNA)
where:
Base-Base interactions energy: -60.316
where: short stacking energy: -40.513
Base-Backbone interact. energy: 1.551
local terms energy: -70.307542
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -3.789
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: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -111.614058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.614058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.614058 (E_RNA)
where:
Base-Base interactions energy: -51.994
where: short stacking energy: -33.661
Base-Backbone interact. energy: -0.951
local terms energy: -58.669301
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -0.477
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: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -416.043881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.043881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.043881 (E_RNA)
where:
Base-Base interactions energy: -291.877
where: short stacking energy: -117.325
Base-Backbone interact. energy: -0.051
local terms energy: -124.115529
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -36.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -414.280990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.280990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.280990 (E_RNA)
where:
Base-Base interactions energy: -297.086
where: short stacking energy: -119.565
Base-Backbone interact. energy: -0.292
local terms energy: -116.903610
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -36.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -416.867455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.867455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.867455 (E_RNA)
where:
Base-Base interactions energy: -294.649
where: short stacking energy: -126.391
Base-Backbone interact. energy: -0.001
local terms energy: -122.218029
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -37.708
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: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -400.810695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.810695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.810695 (E_RNA)
where:
Base-Base interactions energy: -286.734
where: short stacking energy: -119.889
Base-Backbone interact. energy: -0.682
local terms energy: -113.394988
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -386.428089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.428089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.428089 (E_RNA)
where:
Base-Base interactions energy: -276.250
where: short stacking energy: -118.890
Base-Backbone interact. energy: -0.586
local terms energy: -109.591799
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -397.730643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.730643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.730643 (E_RNA)
where:
Base-Base interactions energy: -281.923
where: short stacking energy: -114.361
Base-Backbone interact. energy: -0.509
local terms energy: -115.298684
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -16.413
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: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -380.267943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.267943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.267943 (E_RNA)
where:
Base-Base interactions energy: -282.931
where: short stacking energy: -110.361
Base-Backbone interact. energy: -0.300
local terms energy: -97.036802
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -29.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -381.771597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.771597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.771597 (E_RNA)
where:
Base-Base interactions energy: -277.395
where: short stacking energy: -108.553
Base-Backbone interact. energy: -0.003
local terms energy: -104.373747
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -34.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -115.700451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.700451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.700451 (E_RNA)
where:
Base-Base interactions energy: -54.742
where: short stacking energy: -23.012
Base-Backbone interact. energy: -0.845
local terms energy: -60.113765
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: 0.791
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: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -114.337929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.337929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.337929 (E_RNA)
where:
Base-Base interactions energy: -40.898
where: short stacking energy: -37.667
Base-Backbone interact. energy: -0.026
local terms energy: -73.413456
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -422.118239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.118239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.118239 (E_RNA)
where:
Base-Base interactions energy: -303.004
where: short stacking energy: -125.982
Base-Backbone interact. energy: -0.001
local terms energy: -119.113611
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -37.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -417.873660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.873660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.873660 (E_RNA)
where:
Base-Base interactions energy: -303.398
where: short stacking energy: -124.394
Base-Backbone interact. energy: -0.000
local terms energy: -114.475227
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -34.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -411.356989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.356989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.356989 (E_RNA)
where:
Base-Base interactions energy: -289.352
where: short stacking energy: -117.890
Base-Backbone interact. energy: 0.084
local terms energy: -122.088865
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -35.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -402.264293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.264293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.264293 (E_RNA)
where:
Base-Base interactions energy: -274.652
where: short stacking energy: -108.021
Base-Backbone interact. energy: -0.956
local terms energy: -126.656079
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -34.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -403.180618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.180618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.180618 (E_RNA)
where:
Base-Base interactions energy: -286.600
where: short stacking energy: -116.613
Base-Backbone interact. energy: -0.057
local terms energy: -116.523319
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -35.803
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: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -374.796081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.796081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.796081 (E_RNA)
where:
Base-Base interactions energy: -270.050
where: short stacking energy: -104.968
Base-Backbone interact. energy: -0.576
local terms energy: -104.170177
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -34.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -383.633772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.633772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.633772 (E_RNA)
where:
Base-Base interactions energy: -268.125
where: short stacking energy: -109.381
Base-Backbone interact. energy: -0.840
local terms energy: -114.668937
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -36.004
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: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -383.081853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.081853 (E_RNA)
where:
Base-Base interactions energy: -269.612
where: short stacking energy: -108.124
Base-Backbone interact. energy: -0.031
local terms energy: -113.438887
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -32.661
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: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -120.249778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.249778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.249778 (E_RNA)
where:
Base-Base interactions energy: -45.772
where: short stacking energy: -30.359
Base-Backbone interact. energy: -1.109
local terms energy: -73.368358
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: 0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -120.919098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.919098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.919098 (E_RNA)
where:
Base-Base interactions energy: -55.303
where: short stacking energy: -29.912
Base-Backbone interact. energy: 0.086
local terms energy: -65.701385
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -418.551286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.551286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.551286 (E_RNA)
where:
Base-Base interactions energy: -295.682
where: short stacking energy: -122.438
Base-Backbone interact. energy: -0.006
local terms energy: -122.863315
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -35.071
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: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -412.851432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.851432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.851432 (E_RNA)
where:
Base-Base interactions energy: -291.830
where: short stacking energy: -124.579
Base-Backbone interact. energy: 0.417
local terms energy: -121.438609
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -35.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -402.492069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.492069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.492069 (E_RNA)
where:
Base-Base interactions energy: -283.726
where: short stacking energy: -113.683
Base-Backbone interact. energy: -0.051
local terms energy: -118.714977
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -18.171
tors. eta vs tors. theta energy: -33.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -414.002201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.002201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.002201 (E_RNA)
where:
Base-Base interactions energy: -293.949
where: short stacking energy: -125.983
Base-Backbone interact. energy: -0.122
local terms energy: -119.930910
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -33.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -410.887400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.887400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.887400 (E_RNA)
where:
Base-Base interactions energy: -290.765
where: short stacking energy: -119.491
Base-Backbone interact. energy: -0.001
local terms energy: -120.121798
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -37.000
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: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -397.032873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.032873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.032873 (E_RNA)
where:
Base-Base interactions energy: -285.585
where: short stacking energy: -119.678
Base-Backbone interact. energy: -0.577
local terms energy: -110.870998
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -35.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -382.623293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.623293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.623293 (E_RNA)
where:
Base-Base interactions energy: -272.924
where: short stacking energy: -104.197
Base-Backbone interact. energy: -0.631
local terms energy: -109.068308
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -34.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -389.837377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.837377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.837377 (E_RNA)
where:
Base-Base interactions energy: -279.351
where: short stacking energy: -112.346
Base-Backbone interact. energy: -0.328
local terms energy: -110.158720
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -35.881
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: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -120.303351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.303351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.303351 (E_RNA)
where:
Base-Base interactions energy: -41.874
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.860
local terms energy: -77.568812
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -100.080735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.080735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.080735 (E_RNA)
where:
Base-Base interactions energy: -33.267
where: short stacking energy: -33.211
Base-Backbone interact. energy: -0.186
local terms energy: -66.627209
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -14.279
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: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -421.795048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.795048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.795048 (E_RNA)
where:
Base-Base interactions energy: -305.473
where: short stacking energy: -126.855
Base-Backbone interact. energy: -0.395
local terms energy: -115.927340
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -36.993
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: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -414.334212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.334212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.334212 (E_RNA)
where:
Base-Base interactions energy: -291.701
where: short stacking energy: -115.009
Base-Backbone interact. energy: -1.297
local terms energy: -121.336172
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -35.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -409.914668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.914668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.914668 (E_RNA)
where:
Base-Base interactions energy: -296.406
where: short stacking energy: -125.786
Base-Backbone interact. energy: -0.002
local terms energy: -113.505845
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -35.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -400.736863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.736863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.736863 (E_RNA)
where:
Base-Base interactions energy: -282.601
where: short stacking energy: -119.642
Base-Backbone interact. energy: -0.175
local terms energy: -117.961257
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -35.320
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: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -402.056909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.056909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.056909 (E_RNA)
where:
Base-Base interactions energy: -283.486
where: short stacking energy: -108.779
Base-Backbone interact. energy: -0.307
local terms energy: -118.264198
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -32.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -397.058054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.058054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.058054 (E_RNA)
where:
Base-Base interactions energy: -281.783
where: short stacking energy: -116.040
Base-Backbone interact. energy: -0.131
local terms energy: -115.143986
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -34.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -379.826426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.826426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.826426 (E_RNA)
where:
Base-Base interactions energy: -270.653
where: short stacking energy: -106.668
Base-Backbone interact. energy: -0.703
local terms energy: -108.470689
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -31.930
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: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -373.858848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.858848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.858848 (E_RNA)
where:
Base-Base interactions energy: -266.609
where: short stacking energy: -107.216
Base-Backbone interact. energy: -1.320
local terms energy: -105.929709
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -8.880
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: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -118.655483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.655483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.655483 (E_RNA)
where:
Base-Base interactions energy: -53.246
where: short stacking energy: -41.151
Base-Backbone interact. energy: 0.515
local terms energy: -65.924168
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -7.625
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -3.027
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: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -107.122602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.122602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.122602 (E_RNA)
where:
Base-Base interactions energy: -51.239
where: short stacking energy: -42.053
Base-Backbone interact. energy: 0.651
local terms energy: -56.534258
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: 4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -429.175880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.175880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.175880 (E_RNA)
where:
Base-Base interactions energy: -299.152
where: short stacking energy: -119.882
Base-Backbone interact. energy: -0.590
local terms energy: -129.434173
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -35.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -416.227110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.227110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.227110 (E_RNA)
where:
Base-Base interactions energy: -294.278
where: short stacking energy: -122.731
Base-Backbone interact. energy: -0.001
local terms energy: -121.947994
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -37.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -411.336677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.336677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.336677 (E_RNA)
where:
Base-Base interactions energy: -296.225
where: short stacking energy: -121.461
Base-Backbone interact. energy: 0.809
local terms energy: -115.919915
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -36.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -411.958035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.958035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.958035 (E_RNA)
where:
Base-Base interactions energy: -291.591
where: short stacking energy: -122.861
Base-Backbone interact. energy: 0.832
local terms energy: -121.198959
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -38.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -401.340467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.340467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.340467 (E_RNA)
where:
Base-Base interactions energy: -287.898
where: short stacking energy: -113.791
Base-Backbone interact. energy: -0.241
local terms energy: -113.201853
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -35.186
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: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -390.371842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.371842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.371842 (E_RNA)
where:
Base-Base interactions energy: -280.937
where: short stacking energy: -113.985
Base-Backbone interact. energy: -0.672
local terms energy: -108.762943
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -29.806
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: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -376.946182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.946182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.946182 (E_RNA)
where:
Base-Base interactions energy: -276.161
where: short stacking energy: -111.649
Base-Backbone interact. energy: -0.061
local terms energy: -100.724281
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -34.701
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -375.009909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.009909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.009909 (E_RNA)
where:
Base-Base interactions energy: -262.734
where: short stacking energy: -105.274
Base-Backbone interact. energy: -0.162
local terms energy: -112.113896
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -15.852
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: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -147.260427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.260427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.260427 (E_RNA)
where:
Base-Base interactions energy: -72.064
where: short stacking energy: -42.792
Base-Backbone interact. energy: -0.371
local terms energy: -74.825095
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -4.758
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: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -101.983512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.983512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.983512 (E_RNA)
where:
Base-Base interactions energy: -30.994
where: short stacking energy: -30.994
Base-Backbone interact. energy: 0.185
local terms energy: -71.174422
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: 2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -424.290643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.290643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.290643 (E_RNA)
where:
Base-Base interactions energy: -298.265
where: short stacking energy: -125.346
Base-Backbone interact. energy: 0.600
local terms energy: -126.625459
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -27.412
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -35.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -418.068776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.068776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.068776 (E_RNA)
where:
Base-Base interactions energy: -294.898
where: short stacking energy: -122.880
Base-Backbone interact. energy: -0.041
local terms energy: -123.129526
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -26.381
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -36.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -420.897151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.897151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.897151 (E_RNA)
where:
Base-Base interactions energy: -299.974
where: short stacking energy: -124.695
Base-Backbone interact. energy: 0.006
local terms energy: -120.929735
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -26.273
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -38.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -400.623384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.623384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.623384 (E_RNA)
where:
Base-Base interactions energy: -292.412
where: short stacking energy: -120.158
Base-Backbone interact. energy: -0.006
local terms energy: -108.205043
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -36.944
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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -395.546376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.546376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.546376 (E_RNA)
where:
Base-Base interactions energy: -280.334
where: short stacking energy: -114.667
Base-Backbone interact. energy: -0.579
local terms energy: -114.633392
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -35.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -398.977805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.977805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.977805 (E_RNA)
where:
Base-Base interactions energy: -283.451
where: short stacking energy: -113.283
Base-Backbone interact. energy: -0.062
local terms energy: -115.464598
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -32.762
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: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -386.588943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.588943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.588943 (E_RNA)
where:
Base-Base interactions energy: -281.652
where: short stacking energy: -115.470
Base-Backbone interact. energy: 0.108
local terms energy: -105.044495
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -31.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -352.761267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.761267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.761267 (E_RNA)
where:
Base-Base interactions energy: -265.259
where: short stacking energy: -113.472
Base-Backbone interact. energy: 1.581
local terms energy: -89.082639
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -8.376
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -32.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -122.993174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.993174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.993174 (E_RNA)
where:
Base-Base interactions energy: -56.482
where: short stacking energy: -29.252
Base-Backbone interact. energy: -0.195
local terms energy: -66.316352
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -121.733788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.733788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.733788 (E_RNA)
where:
Base-Base interactions energy: -50.429
where: short stacking energy: -26.130
Base-Backbone interact. energy: 3.046
local terms energy: -74.350584
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -0.661
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: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -421.690284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.690284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.690284 (E_RNA)
where:
Base-Base interactions energy: -295.430
where: short stacking energy: -129.488
Base-Backbone interact. energy: -0.001
local terms energy: -126.258986
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -35.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -418.913296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.913296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.913296 (E_RNA)
where:
Base-Base interactions energy: -303.573
where: short stacking energy: -125.193
Base-Backbone interact. energy: -0.003
local terms energy: -115.337761
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -36.824
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: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -410.045007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.045007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.045007 (E_RNA)
where:
Base-Base interactions energy: -288.490
where: short stacking energy: -123.954
Base-Backbone interact. energy: -0.004
local terms energy: -121.550832
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -35.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -410.537607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.537607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.537607 (E_RNA)
where:
Base-Base interactions energy: -288.653
where: short stacking energy: -117.472
Base-Backbone interact. energy: -0.496
local terms energy: -121.388666
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -19.351
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: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -403.170677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.170677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.170677 (E_RNA)
where:
Base-Base interactions energy: -286.929
where: short stacking energy: -116.691
Base-Backbone interact. energy: -0.224
local terms energy: -116.018089
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -38.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -387.313672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.313672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.313672 (E_RNA)
where:
Base-Base interactions energy: -276.230
where: short stacking energy: -115.916
Base-Backbone interact. energy: -0.009
local terms energy: -111.074562
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -30.309
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: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -375.630970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.630970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.630970 (E_RNA)
where:
Base-Base interactions energy: -282.255
where: short stacking energy: -114.694
Base-Backbone interact. energy: -0.352
local terms energy: -93.023925
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -31.234
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: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -388.353847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.353847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.353847 (E_RNA)
where:
Base-Base interactions energy: -261.659
where: short stacking energy: -116.218
Base-Backbone interact. energy: -0.001
local terms energy: -126.693393
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -36.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -115.505430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.505430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.505430 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -31.454
Base-Backbone interact. energy: 0.241
local terms energy: -80.101781
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -107.363368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.363368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.363368 (E_RNA)
where:
Base-Base interactions energy: -42.119
where: short stacking energy: -37.095
Base-Backbone interact. energy: -0.136
local terms energy: -65.108742
where:
bonds (distance) C4'-P energy: -3.916
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -8.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -415.492749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.492749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.492749 (E_RNA)
where:
Base-Base interactions energy: -290.695
where: short stacking energy: -116.093
Base-Backbone interact. energy: -0.411
local terms energy: -124.386385
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -33.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -411.378136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.378136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.378136 (E_RNA)
where:
Base-Base interactions energy: -293.890
where: short stacking energy: -114.972
Base-Backbone interact. energy: 0.032
local terms energy: -117.520369
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -37.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -402.373789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.373789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.373789 (E_RNA)
where:
Base-Base interactions energy: -287.780
where: short stacking energy: -116.822
Base-Backbone interact. energy: -0.027
local terms energy: -114.567453
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -33.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -407.792462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.792462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.792462 (E_RNA)
where:
Base-Base interactions energy: -281.049
where: short stacking energy: -113.791
Base-Backbone interact. energy: -1.130
local terms energy: -125.613571
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -36.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -411.015978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.015978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.015978 (E_RNA)
where:
Base-Base interactions energy: -292.856
where: short stacking energy: -122.833
Base-Backbone interact. energy: -0.002
local terms energy: -118.158503
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -22.382
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -13.931
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: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -398.319217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.319217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.319217 (E_RNA)
where:
Base-Base interactions energy: -281.972
where: short stacking energy: -112.338
Base-Backbone interact. energy: -0.497
local terms energy: -115.849882
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -33.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -389.471839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.471839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.471839 (E_RNA)
where:
Base-Base interactions energy: -272.616
where: short stacking energy: -107.851
Base-Backbone interact. energy: 0.078
local terms energy: -116.933485
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -377.313972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.313972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.313972 (E_RNA)
where:
Base-Base interactions energy: -269.370
where: short stacking energy: -110.029
Base-Backbone interact. energy: 0.108
local terms energy: -108.051488
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -35.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -109.981946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.981946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.981946 (E_RNA)
where:
Base-Base interactions energy: -45.748
where: short stacking energy: -45.748
Base-Backbone interact. energy: 0.247
local terms energy: -64.481116
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -4.724
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: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -102.948060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.948060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.948060 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.267
local terms energy: -71.964288
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -420.958862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.958862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.958862 (E_RNA)
where:
Base-Base interactions energy: -306.013
where: short stacking energy: -131.969
Base-Backbone interact. energy: -0.043
local terms energy: -114.903164
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -15.698
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: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -417.173284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.173284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.173284 (E_RNA)
where:
Base-Base interactions energy: -301.463
where: short stacking energy: -125.762
Base-Backbone interact. energy: -0.240
local terms energy: -115.470331
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -36.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -414.983555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.983555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.983555 (E_RNA)
where:
Base-Base interactions energy: -291.365
where: short stacking energy: -113.033
Base-Backbone interact. energy: -0.185
local terms energy: -123.433591
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -17.934
tors. eta vs tors. theta energy: -35.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -409.129129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.129129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.129129 (E_RNA)
where:
Base-Base interactions energy: -283.353
where: short stacking energy: -123.692
Base-Backbone interact. energy: -0.009
local terms energy: -125.767171
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -37.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -397.596599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.596599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.596599 (E_RNA)
where:
Base-Base interactions energy: -280.496
where: short stacking energy: -116.761
Base-Backbone interact. energy: -0.715
local terms energy: -116.385051
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -35.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -384.745480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.745480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.745480 (E_RNA)
where:
Base-Base interactions energy: -277.917
where: short stacking energy: -115.429
Base-Backbone interact. energy: -0.007
local terms energy: -106.821135
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -392.780434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.780434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.780434 (E_RNA)
where:
Base-Base interactions energy: -277.902
where: short stacking energy: -114.283
Base-Backbone interact. energy: -0.010
local terms energy: -114.868424
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -34.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -388.483685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.483685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.483685 (E_RNA)
where:
Base-Base interactions energy: -276.950
where: short stacking energy: -115.402
Base-Backbone interact. energy: -1.190
local terms energy: -110.344158
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -35.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -110.452828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.452828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.452828 (E_RNA)
where:
Base-Base interactions energy: -38.278
where: short stacking energy: -34.310
Base-Backbone interact. energy: -0.465
local terms energy: -71.709954
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -13.204
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: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -108.980519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980519 (E_RNA)
where:
Base-Base interactions energy: -46.472
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.197
local terms energy: -62.311398
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: 3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -418.448562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.448562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.448562 (E_RNA)
where:
Base-Base interactions energy: -299.336
where: short stacking energy: -125.826
Base-Backbone interact. energy: -0.116
local terms energy: -118.997068
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -36.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -412.182447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.182447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.182447 (E_RNA)
where:
Base-Base interactions energy: -290.797
where: short stacking energy: -117.064
Base-Backbone interact. energy: -0.248
local terms energy: -121.136871
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -33.253
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: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -417.215807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.215807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.215807 (E_RNA)
where:
Base-Base interactions energy: -298.503
where: short stacking energy: -117.450
Base-Backbone interact. energy: -0.453
local terms energy: -118.258989
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -13.228
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: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -411.871507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.871507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.871507 (E_RNA)
where:
Base-Base interactions energy: -293.953
where: short stacking energy: -127.450
Base-Backbone interact. energy: -0.292
local terms energy: -117.626231
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -34.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -399.924198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.924198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.924198 (E_RNA)
where:
Base-Base interactions energy: -285.463
where: short stacking energy: -118.456
Base-Backbone interact. energy: -0.475
local terms energy: -113.985941
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -36.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -388.788577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.788577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.788577 (E_RNA)
where:
Base-Base interactions energy: -273.336
where: short stacking energy: -112.229
Base-Backbone interact. energy: -0.005
local terms energy: -115.447253
where:
bonds (distance) C4'-P energy: -24.953
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -34.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -386.082501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.082501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.082501 (E_RNA)
where:
Base-Base interactions energy: -270.118
where: short stacking energy: -110.044
Base-Backbone interact. energy: -0.021
local terms energy: -115.943838
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -29.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -350.391916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.391916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.391916 (E_RNA)
where:
Base-Base interactions energy: -257.981
where: short stacking energy: -99.849
Base-Backbone interact. energy: -0.062
local terms energy: -92.348790
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -27.772
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: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -105.258148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.258148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.258148 (E_RNA)
where:
Base-Base interactions energy: -38.580
where: short stacking energy: -25.742
Base-Backbone interact. energy: -0.124
local terms energy: -66.554184
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: 4.940
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: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -143.045220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.045220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.045220 (E_RNA)
where:
Base-Base interactions energy: -79.165
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.242
local terms energy: -63.638452
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -415.548625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.548625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.548625 (E_RNA)
where:
Base-Base interactions energy: -298.055
where: short stacking energy: -119.244
Base-Backbone interact. energy: -1.074
local terms energy: -116.419596
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -35.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -418.109517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.109517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.109517 (E_RNA)
where:
Base-Base interactions energy: -298.573
where: short stacking energy: -119.707
Base-Backbone interact. energy: -0.088
local terms energy: -119.448280
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -16.082
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: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -403.160919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.160919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.160919 (E_RNA)
where:
Base-Base interactions energy: -288.881
where: short stacking energy: -123.002
Base-Backbone interact. energy: -0.290
local terms energy: -113.990139
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -33.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -412.862491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.862491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.862491 (E_RNA)
where:
Base-Base interactions energy: -289.097
where: short stacking energy: -117.521
Base-Backbone interact. energy: -0.447
local terms energy: -123.318134
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -37.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -393.738190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.738190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.738190 (E_RNA)
where:
Base-Base interactions energy: -286.469
where: short stacking energy: -116.059
Base-Backbone interact. energy: -0.089
local terms energy: -107.180055
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -404.539224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.539224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.539224 (E_RNA)
where:
Base-Base interactions energy: -282.611
where: short stacking energy: -112.605
Base-Backbone interact. energy: -0.001
local terms energy: -121.927238
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -34.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -382.804917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.804917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.804917 (E_RNA)
where:
Base-Base interactions energy: -272.942
where: short stacking energy: -111.347
Base-Backbone interact. energy: -1.004
local terms energy: -108.859767
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -33.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -377.411655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.411655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.411655 (E_RNA)
where:
Base-Base interactions energy: -270.125
where: short stacking energy: -111.120
Base-Backbone interact. energy: -0.507
local terms energy: -106.779979
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -33.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -114.536714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.536714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.536714 (E_RNA)
where:
Base-Base interactions energy: -41.766
where: short stacking energy: -41.263
Base-Backbone interact. energy: -1.208
local terms energy: -71.561962
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -4.711
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: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -118.741010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.741010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.741010 (E_RNA)
where:
Base-Base interactions energy: -45.211
where: short stacking energy: -30.216
Base-Backbone interact. energy: 0.417
local terms energy: -73.947623
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -420.493108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.493108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.493108 (E_RNA)
where:
Base-Base interactions energy: -291.218
where: short stacking energy: -121.421
Base-Backbone interact. energy: -0.280
local terms energy: -128.995222
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -25.798
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -36.505
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: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -416.625997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.625997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.625997 (E_RNA)
where:
Base-Base interactions energy: -302.188
where: short stacking energy: -120.802
Base-Backbone interact. energy: -1.511
local terms energy: -112.927413
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -33.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -405.538048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.538048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.538048 (E_RNA)
where:
Base-Base interactions energy: -289.429
where: short stacking energy: -116.838
Base-Backbone interact. energy: -0.792
local terms energy: -115.316878
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -35.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -407.011798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.011798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.011798 (E_RNA)
where:
Base-Base interactions energy: -289.312
where: short stacking energy: -123.233
Base-Backbone interact. energy: -0.005
local terms energy: -117.694094
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -34.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -398.152203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.152203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.152203 (E_RNA)
where:
Base-Base interactions energy: -279.727
where: short stacking energy: -111.806
Base-Backbone interact. energy: -0.243
local terms energy: -118.181852
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -21.026
tors. eta vs tors. theta energy: -35.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -391.186620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.186620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.186620 (E_RNA)
where:
Base-Base interactions energy: -279.355
where: short stacking energy: -111.915
Base-Backbone interact. energy: 0.107
local terms energy: -111.938855
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -33.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -386.650398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.650398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.650398 (E_RNA)
where:
Base-Base interactions energy: -276.769
where: short stacking energy: -114.399
Base-Backbone interact. energy: -0.004
local terms energy: -109.877446
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -35.233
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: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -378.012921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.012921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.012921 (E_RNA)
where:
Base-Base interactions energy: -264.853
where: short stacking energy: -107.846
Base-Backbone interact. energy: -0.006
local terms energy: -113.154006
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -121.156226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.156226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.156226 (E_RNA)
where:
Base-Base interactions energy: -54.945
where: short stacking energy: -41.759
Base-Backbone interact. energy: -0.411
local terms energy: -65.799839
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -103.225274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.225274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.225274 (E_RNA)
where:
Base-Base interactions energy: -40.759
where: short stacking energy: -36.144
Base-Backbone interact. energy: -0.428
local terms energy: -62.038357
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -6.654
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: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -421.897198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.897198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.897198 (E_RNA)
where:
Base-Base interactions energy: -295.785
where: short stacking energy: -123.568
Base-Backbone interact. energy: -0.001
local terms energy: -126.111553
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -36.391
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: 279
Temperature: 0.950000
Total energy: -412.511692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.511692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.511692 (E_RNA)
where:
Base-Base interactions energy: -289.516
where: short stacking energy: -117.316
Base-Backbone interact. energy: 0.476
local terms energy: -123.471568
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -17.145
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: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -408.735449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.735449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.735449 (E_RNA)
where:
Base-Base interactions energy: -287.977
where: short stacking energy: -110.447
Base-Backbone interact. energy: -0.087
local terms energy: -120.672016
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -36.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -413.423368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.423368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.423368 (E_RNA)
where:
Base-Base interactions energy: -292.855
where: short stacking energy: -123.730
Base-Backbone interact. energy: -0.003
local terms energy: -120.564785
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -34.777
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: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -405.086752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.086752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.086752 (E_RNA)
where:
Base-Base interactions energy: -279.202
where: short stacking energy: -107.739
Base-Backbone interact. energy: -0.007
local terms energy: -125.878114
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -35.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -389.239163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.239163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.239163 (E_RNA)
where:
Base-Base interactions energy: -274.548
where: short stacking energy: -114.512
Base-Backbone interact. energy: -0.010
local terms energy: -114.681661
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -36.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -389.947435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.947435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.947435 (E_RNA)
where:
Base-Base interactions energy: -275.944
where: short stacking energy: -114.478
Base-Backbone interact. energy: -0.222
local terms energy: -113.780917
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -36.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -375.459186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.459186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.459186 (E_RNA)
where:
Base-Base interactions energy: -275.696
where: short stacking energy: -112.076
Base-Backbone interact. energy: -0.003
local terms energy: -99.759481
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -34.882
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: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -115.003840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.003840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.003840 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.233
local terms energy: -78.844419
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -2.997
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: 279
Temperature: 1.350000
Total energy: -101.382103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.382103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.382103 (E_RNA)
where:
Base-Base interactions energy: -40.311
where: short stacking energy: -26.847
Base-Backbone interact. energy: -0.126
local terms energy: -60.944995
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -421.768308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.768308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.768308 (E_RNA)
where:
Base-Base interactions energy: -299.393
where: short stacking energy: -127.913
Base-Backbone interact. energy: -0.240
local terms energy: -122.135038
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -35.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -418.858676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.858676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.858676 (E_RNA)
where:
Base-Base interactions energy: -297.351
where: short stacking energy: -122.149
Base-Backbone interact. energy: -0.123
local terms energy: -121.384664
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -34.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -405.820061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.820061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.820061 (E_RNA)
where:
Base-Base interactions energy: -289.877
where: short stacking energy: -122.068
Base-Backbone interact. energy: -0.579
local terms energy: -115.364035
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -34.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -401.561956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.561956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.561956 (E_RNA)
where:
Base-Base interactions energy: -284.758
where: short stacking energy: -118.429
Base-Backbone interact. energy: -0.001
local terms energy: -116.802971
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -37.417
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: 280
Temperature: 1.100000
Total energy: -402.240772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.240772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.240772 (E_RNA)
where:
Base-Base interactions energy: -289.872
where: short stacking energy: -122.820
Base-Backbone interact. energy: -0.001
local terms energy: -112.367418
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -36.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -385.101331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.101331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.101331 (E_RNA)
where:
Base-Base interactions energy: -273.175
where: short stacking energy: -112.565
Base-Backbone interact. energy: -0.070
local terms energy: -111.856677
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -32.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -379.141543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.141543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.141543 (E_RNA)
where:
Base-Base interactions energy: -275.218
where: short stacking energy: -109.204
Base-Backbone interact. energy: 1.142
local terms energy: -105.066014
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -31.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -378.476545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.476545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.476545 (E_RNA)
where:
Base-Base interactions energy: -272.150
where: short stacking energy: -105.458
Base-Backbone interact. energy: -0.047
local terms energy: -106.279623
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -31.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -101.122556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.122556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.122556 (E_RNA)
where:
Base-Base interactions energy: -25.670
where: short stacking energy: -21.666
Base-Backbone interact. energy: -0.228
local terms energy: -75.224707
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -19.338
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: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -112.921357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.921357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.921357 (E_RNA)
where:
Base-Base interactions energy: -56.036
where: short stacking energy: -27.888
Base-Backbone interact. energy: -1.011
local terms energy: -55.874150
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: 8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -425.948767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.948767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.948767 (E_RNA)
where:
Base-Base interactions energy: -299.158
where: short stacking energy: -122.544
Base-Backbone interact. energy: -0.862
local terms energy: -125.927949
where:
bonds (distance) C4'-P energy: -26.508
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -37.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -418.325994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.325994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.325994 (E_RNA)
where:
Base-Base interactions energy: -288.267
where: short stacking energy: -118.793
Base-Backbone interact. energy: -0.289
local terms energy: -129.770456
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -26.912
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -39.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -403.306318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.306318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.306318 (E_RNA)
where:
Base-Base interactions energy: -289.099
where: short stacking energy: -121.376
Base-Backbone interact. energy: -0.002
local terms energy: -114.205377
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -35.771
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: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -394.958588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.958588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.958588 (E_RNA)
where:
Base-Base interactions energy: -275.982
where: short stacking energy: -110.836
Base-Backbone interact. energy: -0.651
local terms energy: -118.325763
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -30.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -398.488852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.488852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.488852 (E_RNA)
where:
Base-Base interactions energy: -289.880
where: short stacking energy: -119.811
Base-Backbone interact. energy: 1.895
local terms energy: -110.503858
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -34.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -398.839849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.839849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.839849 (E_RNA)
where:
Base-Base interactions energy: -279.984
where: short stacking energy: -115.041
Base-Backbone interact. energy: -0.589
local terms energy: -118.266335
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -34.358
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: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -385.339138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.339138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.339138 (E_RNA)
where:
Base-Base interactions energy: -279.493
where: short stacking energy: -111.677
Base-Backbone interact. energy: -0.043
local terms energy: -105.803001
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -35.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -375.778683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.778683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.778683 (E_RNA)
where:
Base-Base interactions energy: -273.640
where: short stacking energy: -113.112
Base-Backbone interact. energy: -0.561
local terms energy: -101.577594
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -33.303
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: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -107.264014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.264014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.264014 (E_RNA)
where:
Base-Base interactions energy: -43.291
where: short stacking energy: -39.278
Base-Backbone interact. energy: -0.611
local terms energy: -63.361613
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -13.822
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: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -118.385271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.385271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.385271 (E_RNA)
where:
Base-Base interactions energy: -47.507
where: short stacking energy: -29.265
Base-Backbone interact. energy: -0.659
local terms energy: -70.219063
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -2.388
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: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -419.333361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.333361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.333361 (E_RNA)
where:
Base-Base interactions energy: -296.731
where: short stacking energy: -126.594
Base-Backbone interact. energy: -0.006
local terms energy: -122.596627
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -35.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -422.466729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.466729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.466729 (E_RNA)
where:
Base-Base interactions energy: -293.288
where: short stacking energy: -119.790
Base-Backbone interact. energy: -0.064
local terms energy: -129.114915
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -27.154
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -37.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -408.369568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.369568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.369568 (E_RNA)
where:
Base-Base interactions energy: -292.236
where: short stacking energy: -122.213
Base-Backbone interact. energy: -0.052
local terms energy: -116.081597
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -36.110
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: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -405.066276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.066276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.066276 (E_RNA)
where:
Base-Base interactions energy: -290.470
where: short stacking energy: -123.223
Base-Backbone interact. energy: -0.005
local terms energy: -114.591665
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -35.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -408.076857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.076857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.076857 (E_RNA)
where:
Base-Base interactions energy: -293.919
where: short stacking energy: -121.466
Base-Backbone interact. energy: -0.002
local terms energy: -114.155885
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -38.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -395.801621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.801621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.801621 (E_RNA)
where:
Base-Base interactions energy: -280.913
where: short stacking energy: -115.908
Base-Backbone interact. energy: -0.273
local terms energy: -114.616046
where:
bonds (distance) C4'-P energy: -26.115
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -32.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -384.837700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.837700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.837700 (E_RNA)
where:
Base-Base interactions energy: -281.515
where: short stacking energy: -111.761
Base-Backbone interact. energy: -1.113
local terms energy: -102.210094
where:
bonds (distance) C4'-P energy: -8.057
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -30.935
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: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -380.162765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.162765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.162765 (E_RNA)
where:
Base-Base interactions energy: -277.012
where: short stacking energy: -112.257
Base-Backbone interact. energy: -0.013
local terms energy: -103.136865
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -33.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -116.186070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.186070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.186070 (E_RNA)
where:
Base-Base interactions energy: -45.622
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.285
local terms energy: -70.279166
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -3.355
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: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -99.560053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.560053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.560053 (E_RNA)
where:
Base-Base interactions energy: -31.202
where: short stacking energy: -24.970
Base-Backbone interact. energy: 0.230
local terms energy: -68.588885
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -416.172484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.172484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.172484 (E_RNA)
where:
Base-Base interactions energy: -294.301
where: short stacking energy: -122.163
Base-Backbone interact. energy: -0.044
local terms energy: -121.827255
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -37.869
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: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -421.022930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.022930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.022930 (E_RNA)
where:
Base-Base interactions energy: -298.872
where: short stacking energy: -119.532
Base-Backbone interact. energy: -0.001
local terms energy: -122.149176
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -28.178
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: -33.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -408.931112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.931112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.931112 (E_RNA)
where:
Base-Base interactions energy: -296.604
where: short stacking energy: -123.740
Base-Backbone interact. energy: -0.271
local terms energy: -112.056022
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -36.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -403.804834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.804834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.804834 (E_RNA)
where:
Base-Base interactions energy: -285.275
where: short stacking energy: -115.677
Base-Backbone interact. energy: -0.332
local terms energy: -118.197249
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -33.203
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: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -406.121736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.121736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.121736 (E_RNA)
where:
Base-Base interactions energy: -282.942
where: short stacking energy: -115.319
Base-Backbone interact. energy: -0.676
local terms energy: -122.503914
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -25.788
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -36.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -391.198136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.198136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.198136 (E_RNA)
where:
Base-Base interactions energy: -288.839
where: short stacking energy: -119.822
Base-Backbone interact. energy: -0.006
local terms energy: -102.352736
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -34.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -392.184943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.184943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.184943 (E_RNA)
where:
Base-Base interactions energy: -275.900
where: short stacking energy: -112.378
Base-Backbone interact. energy: -0.310
local terms energy: -115.974989
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -33.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -373.095448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.095448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.095448 (E_RNA)
where:
Base-Base interactions energy: -272.743
where: short stacking energy: -108.892
Base-Backbone interact. energy: -0.177
local terms energy: -100.175373
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -32.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -109.728183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.728183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.728183 (E_RNA)
where:
Base-Base interactions energy: -50.870
where: short stacking energy: -25.052
Base-Backbone interact. energy: 2.351
local terms energy: -61.209011
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -13.501
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -121.744121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.744121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.744121 (E_RNA)
where:
Base-Base interactions energy: -56.133
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.451
local terms energy: -65.160350
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: 2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -412.621134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.621134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.621134 (E_RNA)
where:
Base-Base interactions energy: -287.746
where: short stacking energy: -116.029
Base-Backbone interact. energy: -0.776
local terms energy: -124.099273
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -17.880
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: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -416.292654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.292654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.292654 (E_RNA)
where:
Base-Base interactions energy: -292.702
where: short stacking energy: -124.779
Base-Backbone interact. energy: -0.631
local terms energy: -122.959076
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -33.803
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: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -408.807222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.807222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.807222 (E_RNA)
where:
Base-Base interactions energy: -287.439
where: short stacking energy: -114.568
Base-Backbone interact. energy: -0.010
local terms energy: -121.358037
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -36.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -408.799649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.799649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.799649 (E_RNA)
where:
Base-Base interactions energy: -285.161
where: short stacking energy: -118.172
Base-Backbone interact. energy: -0.285
local terms energy: -123.353044
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -37.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -396.355280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.355280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.355280 (E_RNA)
where:
Base-Base interactions energy: -283.828
where: short stacking energy: -117.161
Base-Backbone interact. energy: -0.001
local terms energy: -112.527032
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -33.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -392.262586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.262586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.262586 (E_RNA)
where:
Base-Base interactions energy: -280.834
where: short stacking energy: -118.900
Base-Backbone interact. energy: -0.164
local terms energy: -111.264883
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: -36.450
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: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -389.673869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.673869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.673869 (E_RNA)
where:
Base-Base interactions energy: -274.933
where: short stacking energy: -118.029
Base-Backbone interact. energy: 0.423
local terms energy: -115.164038
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -35.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -369.295781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.295781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.295781 (E_RNA)
where:
Base-Base interactions energy: -260.839
where: short stacking energy: -106.671
Base-Backbone interact. energy: -0.006
local terms energy: -108.450337
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -32.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -117.015902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.015902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.015902 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -37.248
Base-Backbone interact. energy: -0.021
local terms energy: -76.986703
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -115.375049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.375049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.375049 (E_RNA)
where:
Base-Base interactions energy: -43.134
where: short stacking energy: -30.901
Base-Backbone interact. energy: -0.206
local terms energy: -72.034925
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -419.521069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.521069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.521069 (E_RNA)
where:
Base-Base interactions energy: -290.446
where: short stacking energy: -121.360
Base-Backbone interact. energy: -0.786
local terms energy: -128.288860
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -37.180
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: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -404.031570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.031570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.031570 (E_RNA)
where:
Base-Base interactions energy: -281.467
where: short stacking energy: -107.116
Base-Backbone interact. energy: -0.632
local terms energy: -121.932765
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -32.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -410.220571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.220571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.220571 (E_RNA)
where:
Base-Base interactions energy: -290.664
where: short stacking energy: -116.928
Base-Backbone interact. energy: -0.320
local terms energy: -119.237379
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -35.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -401.019727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.019727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.019727 (E_RNA)
where:
Base-Base interactions energy: -285.442
where: short stacking energy: -119.709
Base-Backbone interact. energy: -0.008
local terms energy: -115.569633
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -36.714
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: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -401.140671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.140671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.140671 (E_RNA)
where:
Base-Base interactions energy: -282.978
where: short stacking energy: -121.633
Base-Backbone interact. energy: -0.012
local terms energy: -118.150551
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -34.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -407.576763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.576763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.576763 (E_RNA)
where:
Base-Base interactions energy: -296.149
where: short stacking energy: -119.697
Base-Backbone interact. energy: -0.789
local terms energy: -110.639071
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -34.358
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: 285
Temperature: 1.200000
Total energy: -384.720114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.720114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.720114 (E_RNA)
where:
Base-Base interactions energy: -273.534
where: short stacking energy: -105.125
Base-Backbone interact. energy: -0.276
local terms energy: -110.910435
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -31.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -387.518704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.518704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.518704 (E_RNA)
where:
Base-Base interactions energy: -274.958
where: short stacking energy: -112.294
Base-Backbone interact. energy: 0.994
local terms energy: -113.555008
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -33.890
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: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -113.834824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.834824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.834824 (E_RNA)
where:
Base-Base interactions energy: -43.249
where: short stacking energy: -41.023
Base-Backbone interact. energy: 2.923
local terms energy: -73.508631
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -102.530839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.530839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.530839 (E_RNA)
where:
Base-Base interactions energy: -45.839
where: short stacking energy: -36.545
Base-Backbone interact. energy: -0.093
local terms energy: -56.599430
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -2.168
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -425.644247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.644247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.644247 (E_RNA)
where:
Base-Base interactions energy: -299.880
where: short stacking energy: -119.261
Base-Backbone interact. energy: -0.009
local terms energy: -125.756028
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -36.582
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: 286
Temperature: 0.950000
Total energy: -411.107399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.107399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.107399 (E_RNA)
where:
Base-Base interactions energy: -294.294
where: short stacking energy: -121.479
Base-Backbone interact. energy: -0.289
local terms energy: -116.523797
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -36.307
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -421.824746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.824746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.824746 (E_RNA)
where:
Base-Base interactions energy: -295.223
where: short stacking energy: -123.766
Base-Backbone interact. energy: -0.002
local terms energy: -126.600257
where:
bonds (distance) C4'-P energy: -25.780
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -37.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -406.905687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.905687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.905687 (E_RNA)
where:
Base-Base interactions energy: -286.839
where: short stacking energy: -118.827
Base-Backbone interact. energy: -0.005
local terms energy: -120.061295
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -36.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -404.046961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.046961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.046961 (E_RNA)
where:
Base-Base interactions energy: -288.412
where: short stacking energy: -119.496
Base-Backbone interact. energy: -0.697
local terms energy: -114.938032
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -34.679
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: 286
Temperature: 1.150000
Total energy: -394.250486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.250486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.250486 (E_RNA)
where:
Base-Base interactions energy: -275.455
where: short stacking energy: -114.114
Base-Backbone interact. energy: -0.797
local terms energy: -117.998464
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -387.500114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.500114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.500114 (E_RNA)
where:
Base-Base interactions energy: -278.704
where: short stacking energy: -108.778
Base-Backbone interact. energy: -0.230
local terms energy: -108.565910
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -33.302
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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -372.955017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.955017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.955017 (E_RNA)
where:
Base-Base interactions energy: -255.620
where: short stacking energy: -102.869
Base-Backbone interact. energy: -0.783
local terms energy: -116.552219
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -31.111
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: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -114.314504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.314504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.314504 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -30.576
Base-Backbone interact. energy: -0.619
local terms energy: -78.081259
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -5.148
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: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -101.653860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.653860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.653860 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -32.026
Base-Backbone interact. energy: -1.150
local terms energy: -64.088649
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -0.568
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: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -420.399203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.399203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.399203 (E_RNA)
where:
Base-Base interactions energy: -295.315
where: short stacking energy: -122.792
Base-Backbone interact. energy: -0.000
local terms energy: -125.083295
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -38.222
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: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -413.996544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.996544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.996544 (E_RNA)
where:
Base-Base interactions energy: -299.882
where: short stacking energy: -121.538
Base-Backbone interact. energy: -0.332
local terms energy: -113.782786
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -34.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -412.626446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.626446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.626446 (E_RNA)
where:
Base-Base interactions energy: -289.151
where: short stacking energy: -118.679
Base-Backbone interact. energy: -1.057
local terms energy: -122.418330
where:
bonds (distance) C4'-P energy: -24.219
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -37.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -398.025791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.025791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.025791 (E_RNA)
where:
Base-Base interactions energy: -290.666
where: short stacking energy: -114.837
Base-Backbone interact. energy: -0.326
local terms energy: -107.033868
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -404.777608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.777608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.777608 (E_RNA)
where:
Base-Base interactions energy: -288.494
where: short stacking energy: -114.189
Base-Backbone interact. energy: -0.165
local terms energy: -116.118830
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -31.708
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: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -384.523951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.523951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.523951 (E_RNA)
where:
Base-Base interactions energy: -287.737
where: short stacking energy: -116.438
Base-Backbone interact. energy: -0.027
local terms energy: -96.759648
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -31.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -390.673587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.673587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.673587 (E_RNA)
where:
Base-Base interactions energy: -269.311
where: short stacking energy: -110.494
Base-Backbone interact. energy: -0.014
local terms energy: -121.348809
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -37.406
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: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -379.544624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.544624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.544624 (E_RNA)
where:
Base-Base interactions energy: -267.761
where: short stacking energy: -109.451
Base-Backbone interact. energy: -0.167
local terms energy: -111.616638
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -38.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -122.325805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.325805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.325805 (E_RNA)
where:
Base-Base interactions energy: -45.783
where: short stacking energy: -44.286
Base-Backbone interact. energy: 0.805
local terms energy: -77.347362
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -14.969
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: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -102.200688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.200688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.200688 (E_RNA)
where:
Base-Base interactions energy: -36.713
where: short stacking energy: -33.914
Base-Backbone interact. energy: -0.627
local terms energy: -64.861192
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: 0.143
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: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -417.220921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.220921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.220921 (E_RNA)
where:
Base-Base interactions energy: -296.368
where: short stacking energy: -121.349
Base-Backbone interact. energy: 0.988
local terms energy: -121.841017
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -26.843
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -33.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -413.159566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.159566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.159566 (E_RNA)
where:
Base-Base interactions energy: -291.355
where: short stacking energy: -119.771
Base-Backbone interact. energy: -0.034
local terms energy: -121.771389
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -34.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -412.287717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.287717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.287717 (E_RNA)
where:
Base-Base interactions energy: -287.533
where: short stacking energy: -123.342
Base-Backbone interact. energy: -0.455
local terms energy: -124.299300
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -17.325
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: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -403.346134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.346134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.346134 (E_RNA)
where:
Base-Base interactions energy: -278.453
where: short stacking energy: -117.552
Base-Backbone interact. energy: -0.001
local terms energy: -124.892386
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -36.557
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: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -395.509283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.509283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.509283 (E_RNA)
where:
Base-Base interactions energy: -289.636
where: short stacking energy: -115.554
Base-Backbone interact. energy: -0.173
local terms energy: -105.700348
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -30.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -398.228293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.228293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.228293 (E_RNA)
where:
Base-Base interactions energy: -279.355
where: short stacking energy: -117.422
Base-Backbone interact. energy: -0.191
local terms energy: -118.681701
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -36.439
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: 288
Temperature: 1.200000
Total energy: -384.410557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.410557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.410557 (E_RNA)
where:
Base-Base interactions energy: -284.514
where: short stacking energy: -116.842
Base-Backbone interact. energy: -0.623
local terms energy: -99.273206
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -33.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -368.624726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.624726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.624726 (E_RNA)
where:
Base-Base interactions energy: -254.604
where: short stacking energy: -111.386
Base-Backbone interact. energy: -0.241
local terms energy: -113.779653
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -33.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -112.897141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.897141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.897141 (E_RNA)
where:
Base-Base interactions energy: -37.371
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.148
local terms energy: -75.378358
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -7.500
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: 288
Temperature: 1.350000
Total energy: -112.543044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.543044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.543044 (E_RNA)
where:
Base-Base interactions energy: -43.574
where: short stacking energy: -36.392
Base-Backbone interact. energy: -1.074
local terms energy: -67.894783
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: 1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -418.041334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.041334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.041334 (E_RNA)
where:
Base-Base interactions energy: -291.741
where: short stacking energy: -123.741
Base-Backbone interact. energy: -0.001
local terms energy: -126.299655
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -36.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -418.729774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.729774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.729774 (E_RNA)
where:
Base-Base interactions energy: -296.046
where: short stacking energy: -123.904
Base-Backbone interact. energy: -0.012
local terms energy: -122.671821
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -16.508
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: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -412.563950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.563950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.563950 (E_RNA)
where:
Base-Base interactions energy: -294.056
where: short stacking energy: -124.199
Base-Backbone interact. energy: -0.673
local terms energy: -117.834698
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -16.726
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: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -403.883587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.883587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.883587 (E_RNA)
where:
Base-Base interactions energy: -290.193
where: short stacking energy: -119.758
Base-Backbone interact. energy: -0.011
local terms energy: -113.679957
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -34.073
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: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -408.207993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.207993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.207993 (E_RNA)
where:
Base-Base interactions energy: -291.306
where: short stacking energy: -121.827
Base-Backbone interact. energy: -0.158
local terms energy: -116.743963
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -25.405
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -37.108
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: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -394.002989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.002989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.002989 (E_RNA)
where:
Base-Base interactions energy: -277.472
where: short stacking energy: -111.156
Base-Backbone interact. energy: -0.238
local terms energy: -116.293844
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -34.570
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: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -389.525368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.525368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.525368 (E_RNA)
where:
Base-Base interactions energy: -275.815
where: short stacking energy: -112.413
Base-Backbone interact. energy: -0.007
local terms energy: -113.703226
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -36.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -372.437559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.437559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.437559 (E_RNA)
where:
Base-Base interactions energy: -269.459
where: short stacking energy: -112.495
Base-Backbone interact. energy: -0.165
local terms energy: -102.814355
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -33.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -118.808917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.808917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.808917 (E_RNA)
where:
Base-Base interactions energy: -40.821
where: short stacking energy: -40.171
Base-Backbone interact. energy: 0.705
local terms energy: -78.692535
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -107.951885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.951885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.951885 (E_RNA)
where:
Base-Base interactions energy: -36.467
where: short stacking energy: -20.479
Base-Backbone interact. energy: -0.423
local terms energy: -71.062534
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -423.973323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.973323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.973323 (E_RNA)
where:
Base-Base interactions energy: -299.244
where: short stacking energy: -123.936
Base-Backbone interact. energy: -0.003
local terms energy: -124.726484
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -38.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -417.384024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.384024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.384024 (E_RNA)
where:
Base-Base interactions energy: -296.672
where: short stacking energy: -120.857
Base-Backbone interact. energy: 0.028
local terms energy: -120.739969
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -34.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -396.294490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.294490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.294490 (E_RNA)
where:
Base-Base interactions energy: -281.453
where: short stacking energy: -112.573
Base-Backbone interact. energy: -0.977
local terms energy: -113.864024
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -33.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -389.430293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.430293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.430293 (E_RNA)
where:
Base-Base interactions energy: -288.100
where: short stacking energy: -116.746
Base-Backbone interact. energy: -0.170
local terms energy: -101.159806
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -32.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -375.440624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.440624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.440624 (E_RNA)
where:
Base-Base interactions energy: -260.770
where: short stacking energy: -109.313
Base-Backbone interact. energy: -0.003
local terms energy: -114.667075
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -32.496
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: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -386.272485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.272485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.272485 (E_RNA)
where:
Base-Base interactions energy: -276.832
where: short stacking energy: -107.419
Base-Backbone interact. energy: -0.006
local terms energy: -109.434332
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -35.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -389.528955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.528955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.528955 (E_RNA)
where:
Base-Base interactions energy: -276.948
where: short stacking energy: -115.769
Base-Backbone interact. energy: 0.445
local terms energy: -113.026040
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -33.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -392.493025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.493025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.493025 (E_RNA)
where:
Base-Base interactions energy: -280.070
where: short stacking energy: -114.057
Base-Backbone interact. energy: -0.046
local terms energy: -112.376947
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -36.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -109.655229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.655229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.655229 (E_RNA)
where:
Base-Base interactions energy: -38.678
where: short stacking energy: -39.199
Base-Backbone interact. energy: -0.222
local terms energy: -70.755588
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -161.988673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.988673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.988673 (E_RNA)
where:
Base-Base interactions energy: -83.700
where: short stacking energy: -50.867
Base-Backbone interact. energy: -0.356
local terms energy: -77.932724
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -420.274152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.274152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.274152 (E_RNA)
where:
Base-Base interactions energy: -301.556
where: short stacking energy: -121.814
Base-Backbone interact. energy: -0.560
local terms energy: -118.157909
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -37.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -417.866752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.866752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.866752 (E_RNA)
where:
Base-Base interactions energy: -291.658
where: short stacking energy: -117.637
Base-Backbone interact. energy: -0.714
local terms energy: -125.494475
where:
bonds (distance) C4'-P energy: -23.764
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -35.400
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: 291
Temperature: 1.000000
Total energy: -391.102972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.102972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.102972 (E_RNA)
where:
Base-Base interactions energy: -281.114
where: short stacking energy: -118.051
Base-Backbone interact. energy: -0.011
local terms energy: -109.977415
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -31.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -387.324455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.324455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.324455 (E_RNA)
where:
Base-Base interactions energy: -280.756
where: short stacking energy: -113.464
Base-Backbone interact. energy: 0.978
local terms energy: -107.545698
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -33.378
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: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -402.257991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.257991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.257991 (E_RNA)
where:
Base-Base interactions energy: -279.367
where: short stacking energy: -118.872
Base-Backbone interact. energy: -0.050
local terms energy: -122.840458
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -33.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -396.664023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.664023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.664023 (E_RNA)
where:
Base-Base interactions energy: -280.818
where: short stacking energy: -116.038
Base-Backbone interact. energy: -0.280
local terms energy: -115.565395
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -35.238
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: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -382.836248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.836248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.836248 (E_RNA)
where:
Base-Base interactions energy: -281.451
where: short stacking energy: -112.176
Base-Backbone interact. energy: -0.051
local terms energy: -101.334998
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -30.114
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: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -383.865292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.865292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.865292 (E_RNA)
where:
Base-Base interactions energy: -276.937
where: short stacking energy: -119.529
Base-Backbone interact. energy: -0.004
local terms energy: -106.924255
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -33.573
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: 291
Temperature: 1.300000
Total energy: -109.859401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.859401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.859401 (E_RNA)
where:
Base-Base interactions energy: -48.414
where: short stacking energy: -32.064
Base-Backbone interact. energy: 3.618
local terms energy: -65.062972
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: 3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -157.393080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.393080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.393080 (E_RNA)
where:
Base-Base interactions energy: -87.978
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.159
local terms energy: -69.256023
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: 0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -415.342012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.342012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.342012 (E_RNA)
where:
Base-Base interactions energy: -295.816
where: short stacking energy: -117.894
Base-Backbone interact. energy: -0.101
local terms energy: -119.425647
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -37.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -413.573302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.573302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.573302 (E_RNA)
where:
Base-Base interactions energy: -296.504
where: short stacking energy: -122.824
Base-Backbone interact. energy: -0.003
local terms energy: -117.066270
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -25.055
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -35.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -396.254817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.254817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.254817 (E_RNA)
where:
Base-Base interactions energy: -282.400
where: short stacking energy: -116.358
Base-Backbone interact. energy: -0.228
local terms energy: -113.626595
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -34.393
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: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -398.473089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.473089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.473089 (E_RNA)
where:
Base-Base interactions energy: -284.936
where: short stacking energy: -119.483
Base-Backbone interact. energy: -0.001
local terms energy: -113.536147
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -34.929
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: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -393.789000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.789000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.789000 (E_RNA)
where:
Base-Base interactions energy: -285.331
where: short stacking energy: -111.908
Base-Backbone interact. energy: -0.117
local terms energy: -108.341701
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -14.619
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: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -376.255884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.255884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.255884 (E_RNA)
where:
Base-Base interactions energy: -270.713
where: short stacking energy: -109.690
Base-Backbone interact. energy: -0.528
local terms energy: -105.014813
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -33.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -370.951410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.951410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.951410 (E_RNA)
where:
Base-Base interactions energy: -272.064
where: short stacking energy: -110.185
Base-Backbone interact. energy: -0.414
local terms energy: -98.473045
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -33.026
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: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -383.643347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.643347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.643347 (E_RNA)
where:
Base-Base interactions energy: -275.470
where: short stacking energy: -113.754
Base-Backbone interact. energy: -0.207
local terms energy: -107.966893
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -33.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -111.547420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.547420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.547420 (E_RNA)
where:
Base-Base interactions energy: -34.712
where: short stacking energy: -16.665
Base-Backbone interact. energy: -0.345
local terms energy: -76.490022
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -0.137
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: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -115.463710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.463710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.463710 (E_RNA)
where:
Base-Base interactions energy: -35.254
where: short stacking energy: -35.254
Base-Backbone interact. energy: 5.584
local terms energy: -85.793611
where:
bonds (distance) C4'-P energy: -20.812
bonds (distance) P-C4' energy: -26.587
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -0.417
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: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -418.317496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.317496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.317496 (E_RNA)
where:
Base-Base interactions energy: -295.269
where: short stacking energy: -123.091
Base-Backbone interact. energy: -0.113
local terms energy: -122.934687
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -36.237
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: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -413.022377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.022377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.022377 (E_RNA)
where:
Base-Base interactions energy: -285.472
where: short stacking energy: -118.850
Base-Backbone interact. energy: -0.012
local terms energy: -127.539123
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -36.655
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: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -419.714442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.714442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.714442 (E_RNA)
where:
Base-Base interactions energy: -297.715
where: short stacking energy: -123.319
Base-Backbone interact. energy: -0.003
local terms energy: -121.996564
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -37.628
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: 293
Temperature: 1.050000
Total energy: -413.386187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.386187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.386187 (E_RNA)
where:
Base-Base interactions energy: -287.890
where: short stacking energy: -116.774
Base-Backbone interact. energy: -0.080
local terms energy: -125.415654
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -33.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -403.094580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.094580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.094580 (E_RNA)
where:
Base-Base interactions energy: -287.733
where: short stacking energy: -117.963
Base-Backbone interact. energy: -0.295
local terms energy: -115.065804
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -36.804
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: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -391.416475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.416475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.416475 (E_RNA)
where:
Base-Base interactions energy: -281.639
where: short stacking energy: -118.022
Base-Backbone interact. energy: -0.928
local terms energy: -108.849704
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -384.422941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.422941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.422941 (E_RNA)
where:
Base-Base interactions energy: -276.243
where: short stacking energy: -107.162
Base-Backbone interact. energy: 1.160
local terms energy: -109.340340
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -35.625
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: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -396.600817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.600817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.600817 (E_RNA)
where:
Base-Base interactions energy: -287.746
where: short stacking energy: -118.582
Base-Backbone interact. energy: -0.099
local terms energy: -108.755328
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -34.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -137.830538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.830538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.830538 (E_RNA)
where:
Base-Base interactions energy: -73.271
where: short stacking energy: -42.696
Base-Backbone interact. energy: 1.621
local terms energy: -66.180258
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -111.253852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.253852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.253852 (E_RNA)
where:
Base-Base interactions energy: -41.105
where: short stacking energy: -37.049
Base-Backbone interact. energy: 0.149
local terms energy: -70.297968
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -417.741923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.741923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.741923 (E_RNA)
where:
Base-Base interactions energy: -298.095
where: short stacking energy: -122.596
Base-Backbone interact. energy: -0.013
local terms energy: -119.634333
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -33.162
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: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -423.385380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.385380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.385380 (E_RNA)
where:
Base-Base interactions energy: -296.388
where: short stacking energy: -119.428
Base-Backbone interact. energy: 0.201
local terms energy: -127.198241
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -37.364
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: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -413.280565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.280565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.280565 (E_RNA)
where:
Base-Base interactions energy: -291.877
where: short stacking energy: -121.110
Base-Backbone interact. energy: -0.761
local terms energy: -120.643017
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -37.864
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: 294
Temperature: 1.050000
Total energy: -394.178940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.178940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.178940 (E_RNA)
where:
Base-Base interactions energy: -277.823
where: short stacking energy: -107.004
Base-Backbone interact. energy: -0.001
local terms energy: -116.355454
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -15.073
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: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -396.592100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.592100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.592100 (E_RNA)
where:
Base-Base interactions energy: -281.715
where: short stacking energy: -114.250
Base-Backbone interact. energy: -0.102
local terms energy: -114.774946
where:
bonds (distance) C4'-P energy: -26.926
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -33.796
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: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -388.332199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.332199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.332199 (E_RNA)
where:
Base-Base interactions energy: -272.905
where: short stacking energy: -113.288
Base-Backbone interact. energy: -0.153
local terms energy: -115.274331
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -33.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -370.995272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.995272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.995272 (E_RNA)
where:
Base-Base interactions energy: -270.985
where: short stacking energy: -105.772
Base-Backbone interact. energy: -0.180
local terms energy: -99.830520
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -30.690
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: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -379.831136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.831136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.831136 (E_RNA)
where:
Base-Base interactions energy: -276.816
where: short stacking energy: -109.233
Base-Backbone interact. energy: -0.437
local terms energy: -102.578516
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -33.607
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: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -111.386248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.386248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.386248 (E_RNA)
where:
Base-Base interactions energy: -41.601
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.377
local terms energy: -69.408432
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -0.500
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: 294
Temperature: 1.350000
Total energy: -102.927757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.927757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.927757 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.064
local terms energy: -73.047165
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -416.396567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.396567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.396567 (E_RNA)
where:
Base-Base interactions energy: -299.963
where: short stacking energy: -126.460
Base-Backbone interact. energy: -0.003
local terms energy: -116.431314
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -36.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -420.771508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.771508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.771508 (E_RNA)
where:
Base-Base interactions energy: -286.860
where: short stacking energy: -119.280
Base-Backbone interact. energy: -0.005
local terms energy: -133.906525
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -27.007
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -39.219
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: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -414.984680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.984680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.984680 (E_RNA)
where:
Base-Base interactions energy: -291.226
where: short stacking energy: -124.221
Base-Backbone interact. energy: -0.003
local terms energy: -123.756277
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -16.003
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: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -406.154150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.154150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.154150 (E_RNA)
where:
Base-Base interactions energy: -290.299
where: short stacking energy: -118.375
Base-Backbone interact. energy: -1.036
local terms energy: -114.819415
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -33.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -410.978045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.978045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.978045 (E_RNA)
where:
Base-Base interactions energy: -292.703
where: short stacking energy: -123.290
Base-Backbone interact. energy: -0.001
local terms energy: -118.273243
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -35.087
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: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -387.776665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.776665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.776665 (E_RNA)
where:
Base-Base interactions energy: -280.079
where: short stacking energy: -112.722
Base-Backbone interact. energy: -0.127
local terms energy: -107.570732
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -32.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -388.706703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.706703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.706703 (E_RNA)
where:
Base-Base interactions energy: -278.405
where: short stacking energy: -111.639
Base-Backbone interact. energy: -0.097
local terms energy: -110.205217
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -35.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -389.527341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.527341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.527341 (E_RNA)
where:
Base-Base interactions energy: -278.311
where: short stacking energy: -109.063
Base-Backbone interact. energy: -0.065
local terms energy: -111.151360
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -19.441
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -34.008
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: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -137.610184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.610184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.610184 (E_RNA)
where:
Base-Base interactions energy: -66.162
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.531
local terms energy: -70.917344
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: 1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -107.620782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.620782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.620782 (E_RNA)
where:
Base-Base interactions energy: -46.827
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.417
local terms energy: -60.376903
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -423.560457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.560457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.560457 (E_RNA)
where:
Base-Base interactions energy: -291.283
where: short stacking energy: -123.705
Base-Backbone interact. energy: -0.123
local terms energy: -132.155021
where:
bonds (distance) C4'-P energy: -24.392
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -28.038
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -37.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -417.928519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.928519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.928519 (E_RNA)
where:
Base-Base interactions energy: -290.585
where: short stacking energy: -123.144
Base-Backbone interact. energy: 0.085
local terms energy: -127.428511
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -35.246
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: 3, replica: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -410.099730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.099730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.099730 (E_RNA)
where:
Base-Base interactions energy: -281.976
where: short stacking energy: -116.208
Base-Backbone interact. energy: -0.018
local terms energy: -128.105427
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -37.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -398.810079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.810079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.810079 (E_RNA)
where:
Base-Base interactions energy: -289.375
where: short stacking energy: -121.265
Base-Backbone interact. energy: -0.443
local terms energy: -108.992791
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -13.624
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: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -396.925531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.925531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.925531 (E_RNA)
where:
Base-Base interactions energy: -284.738
where: short stacking energy: -111.491
Base-Backbone interact. energy: -0.526
local terms energy: -111.661836
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -30.144
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: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -402.067834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.067834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.067834 (E_RNA)
where:
Base-Base interactions energy: -288.443
where: short stacking energy: -111.110
Base-Backbone interact. energy: -0.107
local terms energy: -113.517387
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -32.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -387.724346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.724346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.724346 (E_RNA)
where:
Base-Base interactions energy: -279.803
where: short stacking energy: -114.309
Base-Backbone interact. energy: -0.241
local terms energy: -107.679870
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -35.208
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: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -383.354612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.354612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.354612 (E_RNA)
where:
Base-Base interactions energy: -269.038
where: short stacking energy: -115.048
Base-Backbone interact. energy: -0.898
local terms energy: -113.418571
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -35.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -126.834412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.834412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.834412 (E_RNA)
where:
Base-Base interactions energy: -57.132
where: short stacking energy: -36.837
Base-Backbone interact. energy: -0.424
local terms energy: -69.278727
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -109.271263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.271263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.271263 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -32.769
Base-Backbone interact. energy: -0.178
local terms energy: -72.749981
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -417.756538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.756538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.756538 (E_RNA)
where:
Base-Base interactions energy: -293.670
where: short stacking energy: -124.492
Base-Backbone interact. energy: -0.166
local terms energy: -123.920243
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -36.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -417.831461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.831461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.831461 (E_RNA)
where:
Base-Base interactions energy: -290.732
where: short stacking energy: -123.594
Base-Backbone interact. energy: -0.451
local terms energy: -126.648284
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -26.290
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -36.848
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: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -413.022308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.022308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.022308 (E_RNA)
where:
Base-Base interactions energy: -298.682
where: short stacking energy: -126.808
Base-Backbone interact. energy: 0.158
local terms energy: -114.498034
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -38.646
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: 297
Temperature: 1.050000
Total energy: -401.129837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.129837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.129837 (E_RNA)
where:
Base-Base interactions energy: -278.202
where: short stacking energy: -116.338
Base-Backbone interact. energy: -0.131
local terms energy: -122.796738
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -37.404
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: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -406.130478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.130478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.130478 (E_RNA)
where:
Base-Base interactions energy: -285.349
where: short stacking energy: -116.589
Base-Backbone interact. energy: -0.402
local terms energy: -120.379534
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -35.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -393.198498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.198498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.198498 (E_RNA)
where:
Base-Base interactions energy: -286.213
where: short stacking energy: -116.204
Base-Backbone interact. energy: 0.625
local terms energy: -107.610096
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -31.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -403.021189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.021189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.021189 (E_RNA)
where:
Base-Base interactions energy: -284.717
where: short stacking energy: -119.351
Base-Backbone interact. energy: -0.208
local terms energy: -118.095813
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -38.740
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: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -371.365694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.365694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.365694 (E_RNA)
where:
Base-Base interactions energy: -268.974
where: short stacking energy: -98.130
Base-Backbone interact. energy: -0.968
local terms energy: -101.423238
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -113.419175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.419175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.419175 (E_RNA)
where:
Base-Base interactions energy: -50.601
where: short stacking energy: -43.484
Base-Backbone interact. energy: 1.359
local terms energy: -64.177767
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -107.272615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.272615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.272615 (E_RNA)
where:
Base-Base interactions energy: -38.843
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.618
local terms energy: -67.811678
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: 0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -424.691545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.691545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.691545 (E_RNA)
where:
Base-Base interactions energy: -298.804
where: short stacking energy: -124.674
Base-Backbone interact. energy: -0.168
local terms energy: -125.718923
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -35.636
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: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -418.174924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.174924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.174924 (E_RNA)
where:
Base-Base interactions energy: -293.064
where: short stacking energy: -126.458
Base-Backbone interact. energy: -0.396
local terms energy: -124.715180
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -38.697
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: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -408.047635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.047635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.047635 (E_RNA)
where:
Base-Base interactions energy: -289.363
where: short stacking energy: -116.338
Base-Backbone interact. energy: -0.612
local terms energy: -118.073188
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -33.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -413.866661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.866661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.866661 (E_RNA)
where:
Base-Base interactions energy: -294.639
where: short stacking energy: -122.424
Base-Backbone interact. energy: -0.004
local terms energy: -119.223739
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -36.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -403.103298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.103298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.103298 (E_RNA)
where:
Base-Base interactions energy: -290.939
where: short stacking energy: -123.073
Base-Backbone interact. energy: -0.007
local terms energy: -112.157292
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -35.751
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: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -392.503914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.503914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.503914 (E_RNA)
where:
Base-Base interactions energy: -275.218
where: short stacking energy: -108.266
Base-Backbone interact. energy: -0.033
local terms energy: -117.252962
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -33.959
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: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -386.645427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.645427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.645427 (E_RNA)
where:
Base-Base interactions energy: -274.624
where: short stacking energy: -111.313
Base-Backbone interact. energy: -0.004
local terms energy: -112.017070
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -34.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -366.220503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.220503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.220503 (E_RNA)
where:
Base-Base interactions energy: -261.537
where: short stacking energy: -101.442
Base-Backbone interact. energy: -0.010
local terms energy: -104.673959
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -29.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -150.945714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.945714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.945714 (E_RNA)
where:
Base-Base interactions energy: -80.568
where: short stacking energy: -43.941
Base-Backbone interact. energy: 0.451
local terms energy: -70.828914
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -121.817325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.817325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.817325 (E_RNA)
where:
Base-Base interactions energy: -57.160
where: short stacking energy: -28.566
Base-Backbone interact. energy: -0.546
local terms energy: -64.111243
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -3.522
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: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -418.434933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.434933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.434933 (E_RNA)
where:
Base-Base interactions energy: -297.188
where: short stacking energy: -122.614
Base-Backbone interact. energy: 0.072
local terms energy: -121.319149
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -36.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -414.757738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.757738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.757738 (E_RNA)
where:
Base-Base interactions energy: -298.005
where: short stacking energy: -119.723
Base-Backbone interact. energy: -0.002
local terms energy: -116.751080
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -35.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -417.809957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.809957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.809957 (E_RNA)
where:
Base-Base interactions energy: -292.042
where: short stacking energy: -123.752
Base-Backbone interact. energy: -0.471
local terms energy: -125.296622
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -19.864
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: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -409.377912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.377912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.377912 (E_RNA)
where:
Base-Base interactions energy: -291.629
where: short stacking energy: -121.898
Base-Backbone interact. energy: 0.786
local terms energy: -118.535613
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -34.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -404.896868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.896868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.896868 (E_RNA)
where:
Base-Base interactions energy: -292.403
where: short stacking energy: -114.323
Base-Backbone interact. energy: -0.268
local terms energy: -112.225974
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -33.052
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: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -394.043017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.043017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.043017 (E_RNA)
where:
Base-Base interactions energy: -282.114
where: short stacking energy: -117.661
Base-Backbone interact. energy: -0.428
local terms energy: -111.501460
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -34.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -404.999296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.999296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.999296 (E_RNA)
where:
Base-Base interactions energy: -291.376
where: short stacking energy: -116.026
Base-Backbone interact. energy: 0.081
local terms energy: -113.704294
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -33.128
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: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -380.080947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.080947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.080947 (E_RNA)
where:
Base-Base interactions energy: -273.204
where: short stacking energy: -108.938
Base-Backbone interact. energy: -0.306
local terms energy: -106.570526
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -33.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -149.741852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.741852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.741852 (E_RNA)
where:
Base-Base interactions energy: -72.572
where: short stacking energy: -42.357
Base-Backbone interact. energy: 0.174
local terms energy: -77.344510
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -5.969
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: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -113.944140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.944140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.944140 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -35.310
Base-Backbone interact. energy: -0.315
local terms energy: -77.369402
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -9.489
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: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -423.850080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.850080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.850080 (E_RNA)
where:
Base-Base interactions energy: -303.028
where: short stacking energy: -125.441
Base-Backbone interact. energy: -0.549
local terms energy: -120.272676
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -37.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -414.184546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.184546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.184546 (E_RNA)
where:
Base-Base interactions energy: -290.654
where: short stacking energy: -118.901
Base-Backbone interact. energy: -0.613
local terms energy: -122.916679
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -38.062
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: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -421.539380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.539380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.539380 (E_RNA)
where:
Base-Base interactions energy: -294.891
where: short stacking energy: -118.875
Base-Backbone interact. energy: -0.028
local terms energy: -126.620531
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -35.376
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: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -397.045130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.045130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.045130 (E_RNA)
where:
Base-Base interactions energy: -285.147
where: short stacking energy: -116.005
Base-Backbone interact. energy: -0.178
local terms energy: -111.720397
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -32.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -404.165180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.165180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.165180 (E_RNA)
where:
Base-Base interactions energy: -290.955
where: short stacking energy: -118.602
Base-Backbone interact. energy: 0.029
local terms energy: -113.239889
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -36.098
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: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -395.936396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.936396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.936396 (E_RNA)
where:
Base-Base interactions energy: -281.682
where: short stacking energy: -111.783
Base-Backbone interact. energy: -0.396
local terms energy: -113.857836
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -36.193
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: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -393.074066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.074066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.074066 (E_RNA)
where:
Base-Base interactions energy: -278.838
where: short stacking energy: -112.068
Base-Backbone interact. energy: -0.002
local terms energy: -114.234085
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -33.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -378.027077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.027077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.027077 (E_RNA)
where:
Base-Base interactions energy: -269.327
where: short stacking energy: -109.337
Base-Backbone interact. energy: -0.155
local terms energy: -108.545813
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -34.069
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: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -151.484464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.484464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.484464 (E_RNA)
where:
Base-Base interactions energy: -78.949
where: short stacking energy: -52.898
Base-Backbone interact. energy: -0.215
local terms energy: -72.320665
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -106.562400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.562400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.562400 (E_RNA)
where:
Base-Base interactions energy: -42.483
where: short stacking energy: -35.345
Base-Backbone interact. energy: 0.217
local terms energy: -64.296035
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -4.511
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: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -426.839098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.839098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.839098 (E_RNA)
where:
Base-Base interactions energy: -305.081
where: short stacking energy: -124.577
Base-Backbone interact. energy: -0.026
local terms energy: -121.732220
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -33.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -416.356835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.356835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.356835 (E_RNA)
where:
Base-Base interactions energy: -299.406
where: short stacking energy: -121.547
Base-Backbone interact. energy: -0.046
local terms energy: -116.905180
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -36.165
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: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -407.061806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.061806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.061806 (E_RNA)
where:
Base-Base interactions energy: -290.410
where: short stacking energy: -122.247
Base-Backbone interact. energy: -0.240
local terms energy: -116.411634
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -34.077
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: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -408.994459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.994459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.994459 (E_RNA)
where:
Base-Base interactions energy: -294.531
where: short stacking energy: -115.325
Base-Backbone interact. energy: -0.045
local terms energy: -114.418194
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -24.556
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -30.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -391.635499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.635499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.635499 (E_RNA)
where:
Base-Base interactions energy: -282.733
where: short stacking energy: -113.670
Base-Backbone interact. energy: 0.619
local terms energy: -109.522164
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -33.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -397.878401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.878401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.878401 (E_RNA)
where:
Base-Base interactions energy: -281.354
where: short stacking energy: -113.003
Base-Backbone interact. energy: -0.239
local terms energy: -116.285851
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -33.801
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: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -399.069527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.069527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.069527 (E_RNA)
where:
Base-Base interactions energy: -288.700
where: short stacking energy: -114.257
Base-Backbone interact. energy: -0.244
local terms energy: -110.125172
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -31.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -381.864610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.864610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.864610 (E_RNA)
where:
Base-Base interactions energy: -272.434
where: short stacking energy: -108.825
Base-Backbone interact. energy: -0.864
local terms energy: -108.566654
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -32.237
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: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -113.090723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.090723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.090723 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -39.147
Base-Backbone interact. energy: 0.185
local terms energy: -71.261620
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -107.181711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.181711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.181711 (E_RNA)
where:
Base-Base interactions energy: -42.347
where: short stacking energy: -34.262
Base-Backbone interact. energy: -0.061
local terms energy: -64.773782
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -422.451615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.451615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.451615 (E_RNA)
where:
Base-Base interactions energy: -304.001
where: short stacking energy: -126.021
Base-Backbone interact. energy: -0.657
local terms energy: -117.793325
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -17.885
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: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -411.248152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.248152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.248152 (E_RNA)
where:
Base-Base interactions energy: -289.018
where: short stacking energy: -118.743
Base-Backbone interact. energy: -0.043
local terms energy: -122.186780
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -37.836
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: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -408.675295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.675295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.675295 (E_RNA)
where:
Base-Base interactions energy: -297.087
where: short stacking energy: -122.027
Base-Backbone interact. energy: -0.004
local terms energy: -111.583555
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -35.087
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: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -403.349900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.349900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.349900 (E_RNA)
where:
Base-Base interactions energy: -288.828
where: short stacking energy: -120.930
Base-Backbone interact. energy: -0.021
local terms energy: -114.501229
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -36.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -399.066981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.066981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.066981 (E_RNA)
where:
Base-Base interactions energy: -285.942
where: short stacking energy: -119.640
Base-Backbone interact. energy: -0.604
local terms energy: -112.521847
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -36.627
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: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -408.588319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.588319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.588319 (E_RNA)
where:
Base-Base interactions energy: -288.054
where: short stacking energy: -118.758
Base-Backbone interact. energy: -0.569
local terms energy: -119.965739
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -34.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -388.421413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.421413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.421413 (E_RNA)
where:
Base-Base interactions energy: -272.277
where: short stacking energy: -108.301
Base-Backbone interact. energy: -0.161
local terms energy: -115.983091
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -32.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -371.020338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.020338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.020338 (E_RNA)
where:
Base-Base interactions energy: -267.709
where: short stacking energy: -108.612
Base-Backbone interact. energy: -0.516
local terms energy: -102.794512
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -32.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -135.258657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.258657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.258657 (E_RNA)
where:
Base-Base interactions energy: -63.692
where: short stacking energy: -34.013
Base-Backbone interact. energy: -0.600
local terms energy: -70.967269
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -107.611978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.611978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.611978 (E_RNA)
where:
Base-Base interactions energy: -37.339
where: short stacking energy: -20.852
Base-Backbone interact. energy: -0.149
local terms energy: -70.124028
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -422.438209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.438209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.438209 (E_RNA)
where:
Base-Base interactions energy: -300.422
where: short stacking energy: -120.648
Base-Backbone interact. energy: -0.189
local terms energy: -121.826498
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -18.785
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: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -414.983143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.983143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.983143 (E_RNA)
where:
Base-Base interactions energy: -290.039
where: short stacking energy: -120.019
Base-Backbone interact. energy: -0.308
local terms energy: -124.636680
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -27.943
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -35.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -403.684791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.684791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.684791 (E_RNA)
where:
Base-Base interactions energy: -287.946
where: short stacking energy: -121.909
Base-Backbone interact. energy: -0.141
local terms energy: -115.598306
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -35.876
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: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -405.723405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.723405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.723405 (E_RNA)
where:
Base-Base interactions energy: -287.570
where: short stacking energy: -112.813
Base-Backbone interact. energy: -0.502
local terms energy: -117.652188
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -36.010
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: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -400.752026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.752026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.752026 (E_RNA)
where:
Base-Base interactions energy: -289.430
where: short stacking energy: -118.295
Base-Backbone interact. energy: -0.015
local terms energy: -111.306705
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -18.018
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: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -395.019114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.019114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.019114 (E_RNA)
where:
Base-Base interactions energy: -272.131
where: short stacking energy: -110.664
Base-Backbone interact. energy: -0.283
local terms energy: -122.604805
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -37.199
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: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -392.772303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.772303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.772303 (E_RNA)
where:
Base-Base interactions energy: -285.455
where: short stacking energy: -119.695
Base-Backbone interact. energy: -0.315
local terms energy: -107.002909
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -36.732
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: 303
Temperature: 1.250000
Total energy: -359.623960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.623960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.623960 (E_RNA)
where:
Base-Base interactions energy: -258.933
where: short stacking energy: -107.348
Base-Backbone interact. energy: 0.604
local terms energy: -101.295430
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -141.022504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.022504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.022504 (E_RNA)
where:
Base-Base interactions energy: -73.217
where: short stacking energy: -46.483
Base-Backbone interact. energy: -0.243
local terms energy: -67.563360
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -9.428
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: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -108.779455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.779455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.779455 (E_RNA)
where:
Base-Base interactions energy: -32.239
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.498
local terms energy: -76.042067
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -4.820
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: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -420.436845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.436845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.436845 (E_RNA)
where:
Base-Base interactions energy: -296.260
where: short stacking energy: -120.582
Base-Backbone interact. energy: -0.012
local terms energy: -124.164410
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -31.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -416.139574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.139574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.139574 (E_RNA)
where:
Base-Base interactions energy: -287.438
where: short stacking energy: -119.230
Base-Backbone interact. energy: -0.002
local terms energy: -128.699248
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -34.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -406.930191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.930191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.930191 (E_RNA)
where:
Base-Base interactions energy: -285.207
where: short stacking energy: -113.726
Base-Backbone interact. energy: -0.001
local terms energy: -121.721655
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -36.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -403.807427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.807427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.807427 (E_RNA)
where:
Base-Base interactions energy: -276.204
where: short stacking energy: -114.802
Base-Backbone interact. energy: -1.427
local terms energy: -126.175855
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -19.411
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: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -404.190978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.190978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.190978 (E_RNA)
where:
Base-Base interactions energy: -285.129
where: short stacking energy: -116.817
Base-Backbone interact. energy: -0.172
local terms energy: -118.890035
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -19.660
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: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -391.417072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.417072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.417072 (E_RNA)
where:
Base-Base interactions energy: -276.961
where: short stacking energy: -116.692
Base-Backbone interact. energy: -0.280
local terms energy: -114.176093
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -36.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -389.283621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.283621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.283621 (E_RNA)
where:
Base-Base interactions energy: -273.768
where: short stacking energy: -110.605
Base-Backbone interact. energy: -0.727
local terms energy: -114.788575
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -32.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -394.306270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.306270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.306270 (E_RNA)
where:
Base-Base interactions energy: -277.541
where: short stacking energy: -110.866
Base-Backbone interact. energy: 1.927
local terms energy: -118.692502
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -33.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -106.350136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.350136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.350136 (E_RNA)
where:
Base-Base interactions energy: -34.485
where: short stacking energy: -30.114
Base-Backbone interact. energy: 3.414
local terms energy: -75.279137
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -4.031
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: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -117.785827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.785827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.785827 (E_RNA)
where:
Base-Base interactions energy: -50.465
where: short stacking energy: -34.312
Base-Backbone interact. energy: -0.350
local terms energy: -66.971409
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -422.124708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.124708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.124708 (E_RNA)
where:
Base-Base interactions energy: -291.272
where: short stacking energy: -128.023
Base-Backbone interact. energy: -0.012
local terms energy: -130.840144
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -35.353
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: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -421.041792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.041792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.041792 (E_RNA)
where:
Base-Base interactions energy: -301.018
where: short stacking energy: -122.220
Base-Backbone interact. energy: -0.632
local terms energy: -119.391597
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -37.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -407.956296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.956296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.956296 (E_RNA)
where:
Base-Base interactions energy: -294.535
where: short stacking energy: -122.403
Base-Backbone interact. energy: -0.509
local terms energy: -112.912725
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -35.111
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: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -402.220610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.220610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.220610 (E_RNA)
where:
Base-Base interactions energy: -289.069
where: short stacking energy: -116.288
Base-Backbone interact. energy: 3.070
local terms energy: -116.221253
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -34.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -390.803409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.803409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.803409 (E_RNA)
where:
Base-Base interactions energy: -285.182
where: short stacking energy: -119.018
Base-Backbone interact. energy: -0.131
local terms energy: -105.490784
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -33.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -394.426921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.426921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.426921 (E_RNA)
where:
Base-Base interactions energy: -281.545
where: short stacking energy: -116.554
Base-Backbone interact. energy: -0.008
local terms energy: -112.874330
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -34.426
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: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -387.608293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.608293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.608293 (E_RNA)
where:
Base-Base interactions energy: -276.042
where: short stacking energy: -113.412
Base-Backbone interact. energy: -0.040
local terms energy: -111.526262
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -32.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -387.621441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.621441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.621441 (E_RNA)
where:
Base-Base interactions energy: -283.548
where: short stacking energy: -115.882
Base-Backbone interact. energy: 1.930
local terms energy: -106.003337
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -32.727
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: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -116.977923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.977923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.977923 (E_RNA)
where:
Base-Base interactions energy: -48.072
where: short stacking energy: -32.901
Base-Backbone interact. energy: -1.024
local terms energy: -67.881986
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -4.600
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: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -106.979713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.979713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.979713 (E_RNA)
where:
Base-Base interactions energy: -49.076
where: short stacking energy: -41.472
Base-Backbone interact. energy: -0.250
local terms energy: -57.653520
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: 0.141
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: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -436.281263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.281263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.281263 (E_RNA)
where:
Base-Base interactions energy: -306.371
where: short stacking energy: -124.306
Base-Backbone interact. energy: -0.002
local terms energy: -129.908099
where:
bonds (distance) C4'-P energy: -25.080
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -38.032
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: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -414.908373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.908373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.908373 (E_RNA)
where:
Base-Base interactions energy: -293.985
where: short stacking energy: -116.073
Base-Backbone interact. energy: -0.246
local terms energy: -120.678224
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -18.285
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: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -411.387823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.387823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.387823 (E_RNA)
where:
Base-Base interactions energy: -292.242
where: short stacking energy: -115.475
Base-Backbone interact. energy: -0.157
local terms energy: -118.988059
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -36.152
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: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -405.311473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.311473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.311473 (E_RNA)
where:
Base-Base interactions energy: -286.628
where: short stacking energy: -114.824
Base-Backbone interact. energy: -0.789
local terms energy: -117.893911
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -35.362
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: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -398.685972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.685972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.685972 (E_RNA)
where:
Base-Base interactions energy: -279.779
where: short stacking energy: -113.247
Base-Backbone interact. energy: -0.084
local terms energy: -118.822217
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -23.975
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -34.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -388.986951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.986951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.986951 (E_RNA)
where:
Base-Base interactions energy: -275.437
where: short stacking energy: -114.467
Base-Backbone interact. energy: -0.191
local terms energy: -113.359241
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -31.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -393.457675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.457675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.457675 (E_RNA)
where:
Base-Base interactions energy: -274.337
where: short stacking energy: -114.056
Base-Backbone interact. energy: -0.010
local terms energy: -119.110558
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -33.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -378.846693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.846693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.846693 (E_RNA)
where:
Base-Base interactions energy: -271.209
where: short stacking energy: -114.726
Base-Backbone interact. energy: -0.167
local terms energy: -107.470941
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -33.696
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: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -110.101580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.101580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.101580 (E_RNA)
where:
Base-Base interactions energy: -34.204
where: short stacking energy: -29.195
Base-Backbone interact. energy: -1.057
local terms energy: -74.841191
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: 3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -105.669306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.669306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.669306 (E_RNA)
where:
Base-Base interactions energy: -59.503
where: short stacking energy: -20.120
Base-Backbone interact. energy: 0.729
local terms energy: -46.894587
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: 3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -424.206745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.206745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.206745 (E_RNA)
where:
Base-Base interactions energy: -301.236
where: short stacking energy: -124.822
Base-Backbone interact. energy: -0.947
local terms energy: -122.023998
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -36.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -421.299003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.299003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.299003 (E_RNA)
where:
Base-Base interactions energy: -293.691
where: short stacking energy: -122.953
Base-Backbone interact. energy: -0.001
local terms energy: -127.606417
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -24.302
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -37.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -409.721790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.721790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.721790 (E_RNA)
where:
Base-Base interactions energy: -285.280
where: short stacking energy: -114.705
Base-Backbone interact. energy: -0.828
local terms energy: -123.613811
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -35.975
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: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -404.430858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.430858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.430858 (E_RNA)
where:
Base-Base interactions energy: -288.100
where: short stacking energy: -118.038
Base-Backbone interact. energy: -0.002
local terms energy: -116.329210
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -35.673
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: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -394.675889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.675889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.675889 (E_RNA)
where:
Base-Base interactions energy: -278.115
where: short stacking energy: -115.912
Base-Backbone interact. energy: -0.448
local terms energy: -116.112368
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -35.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -395.656506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.656506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.656506 (E_RNA)
where:
Base-Base interactions energy: -286.302
where: short stacking energy: -118.307
Base-Backbone interact. energy: -0.003
local terms energy: -109.351769
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -31.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -384.830298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.830298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.830298 (E_RNA)
where:
Base-Base interactions energy: -284.866
where: short stacking energy: -116.139
Base-Backbone interact. energy: -0.684
local terms energy: -99.280226
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -35.223
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: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -384.374839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.374839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.374839 (E_RNA)
where:
Base-Base interactions energy: -273.675
where: short stacking energy: -109.077
Base-Backbone interact. energy: -0.311
local terms energy: -110.388825
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -31.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -124.039940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.039940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.039940 (E_RNA)
where:
Base-Base interactions energy: -57.043
where: short stacking energy: -33.789
Base-Backbone interact. energy: 2.640
local terms energy: -69.636233
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -0.534
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: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -111.440048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.440048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.440048 (E_RNA)
where:
Base-Base interactions energy: -45.312
where: short stacking energy: -41.295
Base-Backbone interact. energy: -0.439
local terms energy: -65.688586
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: 1.843
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: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -415.947388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.947388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.947388 (E_RNA)
where:
Base-Base interactions energy: -296.040
where: short stacking energy: -121.606
Base-Backbone interact. energy: 1.494
local terms energy: -121.401410
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -31.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -417.056877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.056877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.056877 (E_RNA)
where:
Base-Base interactions energy: -289.980
where: short stacking energy: -125.866
Base-Backbone interact. energy: -0.003
local terms energy: -127.073711
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -38.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -410.117602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.117602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.117602 (E_RNA)
where:
Base-Base interactions energy: -283.917
where: short stacking energy: -119.612
Base-Backbone interact. energy: -0.697
local terms energy: -125.503573
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -37.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -402.137788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.137788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.137788 (E_RNA)
where:
Base-Base interactions energy: -286.246
where: short stacking energy: -115.828
Base-Backbone interact. energy: -0.464
local terms energy: -115.427613
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -34.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -403.973242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.973242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.973242 (E_RNA)
where:
Base-Base interactions energy: -291.619
where: short stacking energy: -116.746
Base-Backbone interact. energy: -0.001
local terms energy: -112.353048
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -36.299
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: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -393.600259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.600259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.600259 (E_RNA)
where:
Base-Base interactions energy: -286.266
where: short stacking energy: -110.677
Base-Backbone interact. energy: -0.730
local terms energy: -106.604074
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -34.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -385.128607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.128607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.128607 (E_RNA)
where:
Base-Base interactions energy: -274.765
where: short stacking energy: -108.754
Base-Backbone interact. energy: -0.058
local terms energy: -110.305456
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -33.118
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: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -374.027601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.027601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.027601 (E_RNA)
where:
Base-Base interactions energy: -272.322
where: short stacking energy: -105.615
Base-Backbone interact. energy: -0.265
local terms energy: -101.440549
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -33.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -107.509920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.509920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.509920 (E_RNA)
where:
Base-Base interactions energy: -45.791
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.358
local terms energy: -61.361159
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: 4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -107.530295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.530295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.530295 (E_RNA)
where:
Base-Base interactions energy: -43.739
where: short stacking energy: -37.124
Base-Backbone interact. energy: -0.474
local terms energy: -63.317197
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -0.748
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: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -414.733483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.733483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.733483 (E_RNA)
where:
Base-Base interactions energy: -290.229
where: short stacking energy: -125.309
Base-Backbone interact. energy: -0.092
local terms energy: -124.412384
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -36.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -417.376506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.376506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.376506 (E_RNA)
where:
Base-Base interactions energy: -295.088
where: short stacking energy: -116.763
Base-Backbone interact. energy: -0.012
local terms energy: -122.276064
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -34.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -412.426245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.426245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.426245 (E_RNA)
where:
Base-Base interactions energy: -291.539
where: short stacking energy: -121.796
Base-Backbone interact. energy: -0.001
local terms energy: -120.885722
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -37.840
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: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -404.998446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.998446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.998446 (E_RNA)
where:
Base-Base interactions energy: -288.786
where: short stacking energy: -125.605
Base-Backbone interact. energy: 1.155
local terms energy: -117.366973
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -26.934
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -400.231873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.231873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.231873 (E_RNA)
where:
Base-Base interactions energy: -286.773
where: short stacking energy: -122.419
Base-Backbone interact. energy: -0.003
local terms energy: -113.455153
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -36.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -395.913053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.913053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.913053 (E_RNA)
where:
Base-Base interactions energy: -280.493
where: short stacking energy: -115.470
Base-Backbone interact. energy: 0.656
local terms energy: -116.076091
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -34.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -391.009363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.009363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.009363 (E_RNA)
where:
Base-Base interactions energy: -274.501
where: short stacking energy: -112.033
Base-Backbone interact. energy: -0.585
local terms energy: -115.923964
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -34.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -390.146752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.146752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.146752 (E_RNA)
where:
Base-Base interactions energy: -279.871
where: short stacking energy: -113.698
Base-Backbone interact. energy: -1.053
local terms energy: -109.222894
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -33.195
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: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -127.473084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.473084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.473084 (E_RNA)
where:
Base-Base interactions energy: -46.498
where: short stacking energy: -37.659
Base-Backbone interact. energy: 0.513
local terms energy: -81.488094
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -6.039
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: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -104.878030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.878030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.878030 (E_RNA)
where:
Base-Base interactions energy: -29.527
where: short stacking energy: -21.443
Base-Backbone interact. energy: 0.683
local terms energy: -76.033683
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: 2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -418.706937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.706937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.706937 (E_RNA)
where:
Base-Base interactions energy: -297.194
where: short stacking energy: -122.408
Base-Backbone interact. energy: -0.492
local terms energy: -121.021072
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -22.758
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -33.301
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: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -417.935525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.935525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.935525 (E_RNA)
where:
Base-Base interactions energy: -291.665
where: short stacking energy: -121.360
Base-Backbone interact. energy: -0.307
local terms energy: -125.963662
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -411.655960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.655960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.655960 (E_RNA)
where:
Base-Base interactions energy: -286.752
where: short stacking energy: -119.336
Base-Backbone interact. energy: -0.527
local terms energy: -124.377702
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -23.478
flat angles P-C4'-P energy: -20.092
tors. eta vs tors. theta energy: -35.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -402.824443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.824443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.824443 (E_RNA)
where:
Base-Base interactions energy: -281.809
where: short stacking energy: -111.736
Base-Backbone interact. energy: -0.713
local terms energy: -120.302574
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -34.721
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: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -409.733164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.733164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.733164 (E_RNA)
where:
Base-Base interactions energy: -286.565
where: short stacking energy: -119.483
Base-Backbone interact. energy: -1.230
local terms energy: -121.938135
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: -34.262
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: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -384.822341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.822341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.822341 (E_RNA)
where:
Base-Base interactions energy: -279.865
where: short stacking energy: -113.471
Base-Backbone interact. energy: -0.049
local terms energy: -104.907680
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -32.035
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: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -393.046699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.046699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.046699 (E_RNA)
where:
Base-Base interactions energy: -286.330
where: short stacking energy: -115.345
Base-Backbone interact. energy: -0.003
local terms energy: -106.714364
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -32.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -393.859733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.859733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.859733 (E_RNA)
where:
Base-Base interactions energy: -278.528
where: short stacking energy: -121.431
Base-Backbone interact. energy: -0.238
local terms energy: -115.093122
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -35.213
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: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -102.909724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.909724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.909724 (E_RNA)
where:
Base-Base interactions energy: -53.614
where: short stacking energy: -31.006
Base-Backbone interact. energy: -0.193
local terms energy: -49.102491
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -1.830
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -100.704146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.704146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.704146 (E_RNA)
where:
Base-Base interactions energy: -40.701
where: short stacking energy: -23.781
Base-Backbone interact. energy: -1.096
local terms energy: -58.907310
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: 4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -425.758319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.758319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.758319 (E_RNA)
where:
Base-Base interactions energy: -295.490
where: short stacking energy: -117.959
Base-Backbone interact. energy: -0.001
local terms energy: -130.267392
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -37.366
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: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -417.007502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.007502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.007502 (E_RNA)
where:
Base-Base interactions energy: -295.663
where: short stacking energy: -121.492
Base-Backbone interact. energy: -0.299
local terms energy: -121.046369
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -36.245
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: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -413.136915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.136915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.136915 (E_RNA)
where:
Base-Base interactions energy: -294.586
where: short stacking energy: -116.427
Base-Backbone interact. energy: -1.519
local terms energy: -117.031325
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -24.469
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -35.431
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: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -405.914247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.914247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.914247 (E_RNA)
where:
Base-Base interactions energy: -283.737
where: short stacking energy: -117.821
Base-Backbone interact. energy: -0.034
local terms energy: -122.143534
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -35.950
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: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -395.074828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.074828 (E_RNA)
where:
Base-Base interactions energy: -280.235
where: short stacking energy: -110.654
Base-Backbone interact. energy: -0.038
local terms energy: -114.801538
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -29.451
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: 311
Temperature: 1.150000
Total energy: -391.420542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.420542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.420542 (E_RNA)
where:
Base-Base interactions energy: -275.671
where: short stacking energy: -116.584
Base-Backbone interact. energy: -0.229
local terms energy: -115.520436
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -36.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -397.791302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.791302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.791302 (E_RNA)
where:
Base-Base interactions energy: -280.089
where: short stacking energy: -117.263
Base-Backbone interact. energy: -0.066
local terms energy: -117.636227
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -31.734
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: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -374.486810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.486810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.486810 (E_RNA)
where:
Base-Base interactions energy: -267.852
where: short stacking energy: -107.272
Base-Backbone interact. energy: -0.860
local terms energy: -105.774692
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -33.441
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: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -121.036944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.036944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.036944 (E_RNA)
where:
Base-Base interactions energy: -53.997
where: short stacking energy: -44.379
Base-Backbone interact. energy: 1.048
local terms energy: -68.088205
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: 0.397
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: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -100.554724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.554724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.554724 (E_RNA)
where:
Base-Base interactions energy: -32.956
where: short stacking energy: -24.828
Base-Backbone interact. energy: -0.171
local terms energy: -67.427654
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -426.248111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.248111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.248111 (E_RNA)
where:
Base-Base interactions energy: -298.029
where: short stacking energy: -125.138
Base-Backbone interact. energy: 0.167
local terms energy: -128.386351
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -26.217
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -38.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -415.159127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.159127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.159127 (E_RNA)
where:
Base-Base interactions energy: -299.368
where: short stacking energy: -127.838
Base-Backbone interact. energy: 1.317
local terms energy: -117.108061
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -36.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -411.034768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.034768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.034768 (E_RNA)
where:
Base-Base interactions energy: -292.444
where: short stacking energy: -116.051
Base-Backbone interact. energy: -0.021
local terms energy: -118.570395
where:
bonds (distance) C4'-P energy: -23.806
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -34.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -408.409540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.409540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.409540 (E_RNA)
where:
Base-Base interactions energy: -296.660
where: short stacking energy: -118.041
Base-Backbone interact. energy: -0.244
local terms energy: -111.505495
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -11.175
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: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -390.639023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.639023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.639023 (E_RNA)
where:
Base-Base interactions energy: -276.570
where: short stacking energy: -112.318
Base-Backbone interact. energy: -0.011
local terms energy: -114.058214
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -33.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -392.794788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.794788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.794788 (E_RNA)
where:
Base-Base interactions energy: -276.705
where: short stacking energy: -113.643
Base-Backbone interact. energy: -0.160
local terms energy: -115.929630
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -32.557
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: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -382.197843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.197843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.197843 (E_RNA)
where:
Base-Base interactions energy: -272.036
where: short stacking energy: -103.853
Base-Backbone interact. energy: 0.226
local terms energy: -110.387300
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -374.775307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.775307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.775307 (E_RNA)
where:
Base-Base interactions energy: -272.329
where: short stacking energy: -109.445
Base-Backbone interact. energy: -0.014
local terms energy: -102.432453
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -32.515
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: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -120.036514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.036514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.036514 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -34.045
Base-Backbone interact. energy: -0.020
local terms energy: -76.972380
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -108.800785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.800785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.800785 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -29.438
Base-Backbone interact. energy: -0.508
local terms energy: -71.908020
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: 2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -427.321925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.321925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.321925 (E_RNA)
where:
Base-Base interactions energy: -297.213
where: short stacking energy: -121.419
Base-Backbone interact. energy: -0.797
local terms energy: -129.311875
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -19.902
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: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -413.063348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.063348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.063348 (E_RNA)
where:
Base-Base interactions energy: -292.077
where: short stacking energy: -116.666
Base-Backbone interact. energy: -0.058
local terms energy: -120.928496
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -33.854
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: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -409.008763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.008763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.008763 (E_RNA)
where:
Base-Base interactions energy: -291.259
where: short stacking energy: -119.843
Base-Backbone interact. energy: -0.718
local terms energy: -117.031634
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -38.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -409.003590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.003590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.003590 (E_RNA)
where:
Base-Base interactions energy: -291.121
where: short stacking energy: -117.758
Base-Backbone interact. energy: -0.064
local terms energy: -117.818767
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -33.039
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: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -398.446138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.446138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.446138 (E_RNA)
where:
Base-Base interactions energy: -291.465
where: short stacking energy: -115.019
Base-Backbone interact. energy: -0.113
local terms energy: -106.867207
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -34.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -394.580190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.580190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.580190 (E_RNA)
where:
Base-Base interactions energy: -280.400
where: short stacking energy: -116.947
Base-Backbone interact. energy: -0.019
local terms energy: -114.161189
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -33.566
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: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -379.170660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.170660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.170660 (E_RNA)
where:
Base-Base interactions energy: -278.553
where: short stacking energy: -110.274
Base-Backbone interact. energy: -0.004
local terms energy: -100.613453
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -18.196
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: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -365.866989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.866989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.866989 (E_RNA)
where:
Base-Base interactions energy: -266.393
where: short stacking energy: -108.309
Base-Backbone interact. energy: -0.088
local terms energy: -99.386113
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -28.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -156.001537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.001537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.001537 (E_RNA)
where:
Base-Base interactions energy: -84.040
where: short stacking energy: -49.590
Base-Backbone interact. energy: -0.118
local terms energy: -71.843419
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -106.334067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.334067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.334067 (E_RNA)
where:
Base-Base interactions energy: -48.166
where: short stacking energy: -42.113
Base-Backbone interact. energy: -0.253
local terms energy: -57.914968
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -425.230735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.230735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.230735 (E_RNA)
where:
Base-Base interactions energy: -302.740
where: short stacking energy: -126.094
Base-Backbone interact. energy: -0.284
local terms energy: -122.206790
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -38.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -422.762756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.762756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.762756 (E_RNA)
where:
Base-Base interactions energy: -298.388
where: short stacking energy: -122.197
Base-Backbone interact. energy: -0.217
local terms energy: -124.157771
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -35.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -405.589957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.589957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.589957 (E_RNA)
where:
Base-Base interactions energy: -285.934
where: short stacking energy: -119.585
Base-Backbone interact. energy: -0.003
local terms energy: -119.652921
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -33.385
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: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -405.219781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.219781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.219781 (E_RNA)
where:
Base-Base interactions energy: -289.161
where: short stacking energy: -115.233
Base-Backbone interact. energy: -0.188
local terms energy: -115.871553
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -26.656
flat angles P-C4'-P energy: -20.164
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: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -399.456835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.456835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.456835 (E_RNA)
where:
Base-Base interactions energy: -275.428
where: short stacking energy: -113.814
Base-Backbone interact. energy: -0.001
local terms energy: -124.028031
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -33.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -387.428763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.428763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.428763 (E_RNA)
where:
Base-Base interactions energy: -268.448
where: short stacking energy: -108.070
Base-Backbone interact. energy: -0.005
local terms energy: -118.975805
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -19.040
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: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -392.308450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.308450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.308450 (E_RNA)
where:
Base-Base interactions energy: -277.304
where: short stacking energy: -111.407
Base-Backbone interact. energy: -0.444
local terms energy: -114.560777
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -33.292
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: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -368.843195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.843195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.843195 (E_RNA)
where:
Base-Base interactions energy: -258.591
where: short stacking energy: -102.252
Base-Backbone interact. energy: -0.586
local terms energy: -109.665820
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -32.718
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: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -111.892042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.892042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.892042 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -28.639
Base-Backbone interact. energy: -0.153
local terms energy: -78.968320
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -115.994074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.994074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.994074 (E_RNA)
where:
Base-Base interactions energy: -39.601
where: short stacking energy: -35.867
Base-Backbone interact. energy: 0.615
local terms energy: -77.007759
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -425.539318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.539318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.539318 (E_RNA)
where:
Base-Base interactions energy: -300.110
where: short stacking energy: -121.403
Base-Backbone interact. energy: -0.001
local terms energy: -125.428458
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -25.544
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -36.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -413.595128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.595128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.595128 (E_RNA)
where:
Base-Base interactions energy: -285.029
where: short stacking energy: -124.159
Base-Backbone interact. energy: -0.490
local terms energy: -128.075560
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -24.235
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -36.100
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: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -408.796149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.796149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.796149 (E_RNA)
where:
Base-Base interactions energy: -287.151
where: short stacking energy: -114.313
Base-Backbone interact. energy: -0.006
local terms energy: -121.638410
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -36.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -404.471951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.471951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.471951 (E_RNA)
where:
Base-Base interactions energy: -287.687
where: short stacking energy: -120.836
Base-Backbone interact. energy: -0.003
local terms energy: -116.781428
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -32.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -390.892070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.892070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.892070 (E_RNA)
where:
Base-Base interactions energy: -281.711
where: short stacking energy: -109.041
Base-Backbone interact. energy: 1.699
local terms energy: -110.879841
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -30.057
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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -396.821242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.821242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.821242 (E_RNA)
where:
Base-Base interactions energy: -280.736
where: short stacking energy: -118.948
Base-Backbone interact. energy: -0.182
local terms energy: -115.903433
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -36.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -394.776143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.776143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.776143 (E_RNA)
where:
Base-Base interactions energy: -280.366
where: short stacking energy: -111.283
Base-Backbone interact. energy: 0.634
local terms energy: -115.044162
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -36.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -384.743367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.743367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.743367 (E_RNA)
where:
Base-Base interactions energy: -281.446
where: short stacking energy: -113.273
Base-Backbone interact. energy: -0.020
local terms energy: -103.277274
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -31.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -115.331694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.331694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.331694 (E_RNA)
where:
Base-Base interactions energy: -45.702
where: short stacking energy: -35.920
Base-Backbone interact. energy: -0.121
local terms energy: -69.508849
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -114.957953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.957953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.957953 (E_RNA)
where:
Base-Base interactions energy: -53.195
where: short stacking energy: -44.089
Base-Backbone interact. energy: -0.463
local terms energy: -61.300288
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -416.487840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.487840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.487840 (E_RNA)
where:
Base-Base interactions energy: -299.826
where: short stacking energy: -124.560
Base-Backbone interact. energy: -0.012
local terms energy: -116.649737
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -23.215
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -36.263
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -414.547572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.547572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.547572 (E_RNA)
where:
Base-Base interactions energy: -298.420
where: short stacking energy: -125.728
Base-Backbone interact. energy: -0.001
local terms energy: -116.126891
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -37.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -411.482158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.482158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.482158 (E_RNA)
where:
Base-Base interactions energy: -292.948
where: short stacking energy: -120.325
Base-Backbone interact. energy: -0.218
local terms energy: -118.316025
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -18.655
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: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -395.105681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.105681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.105681 (E_RNA)
where:
Base-Base interactions energy: -269.382
where: short stacking energy: -110.167
Base-Backbone interact. energy: -0.384
local terms energy: -125.339597
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -17.496
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -396.850603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.850603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.850603 (E_RNA)
where:
Base-Base interactions energy: -279.760
where: short stacking energy: -113.894
Base-Backbone interact. energy: 0.926
local terms energy: -118.016598
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -35.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -393.690176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.690176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.690176 (E_RNA)
where:
Base-Base interactions energy: -276.414
where: short stacking energy: -107.903
Base-Backbone interact. energy: -0.212
local terms energy: -117.064303
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -17.186
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: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -380.147001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.147001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.147001 (E_RNA)
where:
Base-Base interactions energy: -270.203
where: short stacking energy: -109.800
Base-Backbone interact. energy: -0.550
local terms energy: -109.393952
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -30.424
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: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -371.206409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.206409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.206409 (E_RNA)
where:
Base-Base interactions energy: -267.494
where: short stacking energy: -104.701
Base-Backbone interact. energy: 0.446
local terms energy: -104.159126
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -33.517
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: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -113.925503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.925503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.925503 (E_RNA)
where:
Base-Base interactions energy: -47.015
where: short stacking energy: -24.133
Base-Backbone interact. energy: -0.889
local terms energy: -66.021652
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: 5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -112.284956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.284956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.284956 (E_RNA)
where:
Base-Base interactions energy: -45.313
where: short stacking energy: -42.416
Base-Backbone interact. energy: 0.328
local terms energy: -67.300286
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -417.883747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.883747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.883747 (E_RNA)
where:
Base-Base interactions energy: -297.113
where: short stacking energy: -124.575
Base-Backbone interact. energy: -0.264
local terms energy: -120.507322
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -36.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -416.533763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.533763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.533763 (E_RNA)
where:
Base-Base interactions energy: -291.821
where: short stacking energy: -122.620
Base-Backbone interact. energy: -0.249
local terms energy: -124.464497
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -34.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -413.103609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.103609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.103609 (E_RNA)
where:
Base-Base interactions energy: -287.786
where: short stacking energy: -114.733
Base-Backbone interact. energy: -0.087
local terms energy: -125.230820
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -33.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -400.894946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.894946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.894946 (E_RNA)
where:
Base-Base interactions energy: -288.528
where: short stacking energy: -115.610
Base-Backbone interact. energy: -0.008
local terms energy: -112.359737
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -35.389
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: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -395.573294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.573294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.573294 (E_RNA)
where:
Base-Base interactions energy: -274.029
where: short stacking energy: -108.596
Base-Backbone interact. energy: -0.642
local terms energy: -120.901543
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -25.845
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -19.082
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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -392.494978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.494978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.494978 (E_RNA)
where:
Base-Base interactions energy: -283.755
where: short stacking energy: -112.981
Base-Backbone interact. energy: -0.054
local terms energy: -108.686143
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -32.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -380.571839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.571839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.571839 (E_RNA)
where:
Base-Base interactions energy: -271.305
where: short stacking energy: -112.524
Base-Backbone interact. energy: -0.003
local terms energy: -109.263613
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -36.080
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: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -380.396960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.396960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.396960 (E_RNA)
where:
Base-Base interactions energy: -269.282
where: short stacking energy: -108.741
Base-Backbone interact. energy: -0.016
local terms energy: -111.099333
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -36.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -123.983278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.983278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.983278 (E_RNA)
where:
Base-Base interactions energy: -46.410
where: short stacking energy: -28.371
Base-Backbone interact. energy: 0.513
local terms energy: -78.086960
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -4.413
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: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -118.549337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.549337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.549337 (E_RNA)
where:
Base-Base interactions energy: -36.457
where: short stacking energy: -36.457
Base-Backbone interact. energy: 1.915
local terms energy: -84.008014
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -419.823362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.823362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.823362 (E_RNA)
where:
Base-Base interactions energy: -294.189
where: short stacking energy: -118.540
Base-Backbone interact. energy: -0.037
local terms energy: -125.597584
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -36.873
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: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -413.035320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.035320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.035320 (E_RNA)
where:
Base-Base interactions energy: -295.442
where: short stacking energy: -125.104
Base-Backbone interact. energy: -0.044
local terms energy: -117.549406
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -38.448
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: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -410.588701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.588701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.588701 (E_RNA)
where:
Base-Base interactions energy: -289.120
where: short stacking energy: -117.918
Base-Backbone interact. energy: -0.002
local terms energy: -121.466850
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -37.807
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: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -410.430404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.430404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.430404 (E_RNA)
where:
Base-Base interactions energy: -285.268
where: short stacking energy: -115.258
Base-Backbone interact. energy: -0.298
local terms energy: -124.864593
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -34.784
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: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -401.737618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.737618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.737618 (E_RNA)
where:
Base-Base interactions energy: -278.752
where: short stacking energy: -115.144
Base-Backbone interact. energy: -0.015
local terms energy: -122.969809
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -35.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -392.394592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.394592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.394592 (E_RNA)
where:
Base-Base interactions energy: -279.737
where: short stacking energy: -119.769
Base-Backbone interact. energy: -0.842
local terms energy: -111.815482
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -36.624
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: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -390.726228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.726228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.726228 (E_RNA)
where:
Base-Base interactions energy: -274.817
where: short stacking energy: -116.152
Base-Backbone interact. energy: -0.017
local terms energy: -115.891680
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -34.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -372.633326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.633326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.633326 (E_RNA)
where:
Base-Base interactions energy: -267.016
where: short stacking energy: -102.870
Base-Backbone interact. energy: -0.120
local terms energy: -105.497237
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -33.337
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: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -112.057707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.057707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.057707 (E_RNA)
where:
Base-Base interactions energy: -50.617
where: short stacking energy: -29.566
Base-Backbone interact. energy: -1.788
local terms energy: -59.651821
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: 3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -101.876930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.876930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.876930 (E_RNA)
where:
Base-Base interactions energy: -38.642
where: short stacking energy: -32.227
Base-Backbone interact. energy: -0.475
local terms energy: -62.759596
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.678
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: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -419.169942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.169942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.169942 (E_RNA)
where:
Base-Base interactions energy: -298.279
where: short stacking energy: -117.516
Base-Backbone interact. energy: -0.001
local terms energy: -120.889617
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -26.983
flat angles P-C4'-P energy: -16.742
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: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -410.775785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.775785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.775785 (E_RNA)
where:
Base-Base interactions energy: -285.231
where: short stacking energy: -114.308
Base-Backbone interact. energy: -0.787
local terms energy: -124.758266
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: -34.963
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -413.003883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.003883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.003883 (E_RNA)
where:
Base-Base interactions energy: -290.997
where: short stacking energy: -120.243
Base-Backbone interact. energy: -0.005
local terms energy: -122.002256
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -37.331
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: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -398.130639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.130639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.130639 (E_RNA)
where:
Base-Base interactions energy: -284.435
where: short stacking energy: -109.291
Base-Backbone interact. energy: -0.002
local terms energy: -113.693749
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -26.708
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -33.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -396.541329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.541329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.541329 (E_RNA)
where:
Base-Base interactions energy: -281.246
where: short stacking energy: -116.005
Base-Backbone interact. energy: -0.134
local terms energy: -115.161317
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -30.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -395.476383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.476383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.476383 (E_RNA)
where:
Base-Base interactions energy: -279.174
where: short stacking energy: -112.148
Base-Backbone interact. energy: 0.306
local terms energy: -116.608088
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -34.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -384.450196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.450196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.450196 (E_RNA)
where:
Base-Base interactions energy: -271.169
where: short stacking energy: -117.446
Base-Backbone interact. energy: -0.433
local terms energy: -112.847469
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -35.860
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: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -373.806923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.806923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.806923 (E_RNA)
where:
Base-Base interactions energy: -268.551
where: short stacking energy: -105.458
Base-Backbone interact. energy: -0.366
local terms energy: -104.889634
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -34.767
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: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -121.905227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.905227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.905227 (E_RNA)
where:
Base-Base interactions energy: -60.292
where: short stacking energy: -29.898
Base-Backbone interact. energy: 1.466
local terms energy: -63.078934
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: 1.829
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: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -109.586153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.586153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.586153 (E_RNA)
where:
Base-Base interactions energy: -30.843
where: short stacking energy: -30.843
Base-Backbone interact. energy: -0.756
local terms energy: -77.986961
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -426.081385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.081385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.081385 (E_RNA)
where:
Base-Base interactions energy: -301.035
where: short stacking energy: -122.926
Base-Backbone interact. energy: -0.238
local terms energy: -124.808027
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -38.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -410.705632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.705632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.705632 (E_RNA)
where:
Base-Base interactions energy: -290.809
where: short stacking energy: -116.352
Base-Backbone interact. energy: -0.150
local terms energy: -119.746565
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -35.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -414.891295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.891295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.891295 (E_RNA)
where:
Base-Base interactions energy: -290.567
where: short stacking energy: -121.166
Base-Backbone interact. energy: -0.001
local terms energy: -124.323440
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -37.388
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: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -413.173220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.173220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.173220 (E_RNA)
where:
Base-Base interactions energy: -291.479
where: short stacking energy: -121.407
Base-Backbone interact. energy: -0.238
local terms energy: -121.455411
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -37.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -399.198495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.198495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.198495 (E_RNA)
where:
Base-Base interactions energy: -281.365
where: short stacking energy: -112.601
Base-Backbone interact. energy: -0.250
local terms energy: -117.583272
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -34.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -391.151002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.151002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.151002 (E_RNA)
where:
Base-Base interactions energy: -275.819
where: short stacking energy: -109.282
Base-Backbone interact. energy: -0.034
local terms energy: -115.298425
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -31.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -390.677018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.677018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.677018 (E_RNA)
where:
Base-Base interactions energy: -281.739
where: short stacking energy: -114.723
Base-Backbone interact. energy: -0.223
local terms energy: -108.715101
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -36.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -378.071239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.071239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.071239 (E_RNA)
where:
Base-Base interactions energy: -273.074
where: short stacking energy: -112.277
Base-Backbone interact. energy: -0.002
local terms energy: -104.994907
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -36.872
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: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -118.664355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.664355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.664355 (E_RNA)
where:
Base-Base interactions energy: -42.640
where: short stacking energy: -38.467
Base-Backbone interact. energy: -0.918
local terms energy: -75.106368
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -7.775
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: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -107.072586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.072586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.072586 (E_RNA)
where:
Base-Base interactions energy: -37.069
where: short stacking energy: -33.939
Base-Backbone interact. energy: -0.396
local terms energy: -69.607225
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -421.141873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.141873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.141873 (E_RNA)
where:
Base-Base interactions energy: -303.620
where: short stacking energy: -123.600
Base-Backbone interact. energy: -0.003
local terms energy: -117.519071
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -32.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -409.592955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.592955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.592955 (E_RNA)
where:
Base-Base interactions energy: -289.596
where: short stacking energy: -121.414
Base-Backbone interact. energy: -0.004
local terms energy: -119.993272
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -34.952
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: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -411.645654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.645654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.645654 (E_RNA)
where:
Base-Base interactions energy: -295.157
where: short stacking energy: -124.140
Base-Backbone interact. energy: -0.871
local terms energy: -115.617762
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -35.268
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: 321
Temperature: 1.050000
Total energy: -409.886297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.886297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.886297 (E_RNA)
where:
Base-Base interactions energy: -292.801
where: short stacking energy: -126.531
Base-Backbone interact. energy: -0.002
local terms energy: -117.083102
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -36.868
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: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -406.480086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.480086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.480086 (E_RNA)
where:
Base-Base interactions energy: -288.898
where: short stacking energy: -122.925
Base-Backbone interact. energy: -0.649
local terms energy: -116.932996
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -35.189
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -398.847095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.847095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.847095 (E_RNA)
where:
Base-Base interactions energy: -285.576
where: short stacking energy: -114.813
Base-Backbone interact. energy: -0.012
local terms energy: -113.259327
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -33.016
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: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -388.626111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.626111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.626111 (E_RNA)
where:
Base-Base interactions energy: -269.296
where: short stacking energy: -111.108
Base-Backbone interact. energy: -0.971
local terms energy: -118.358792
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -34.870
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: 321
Temperature: 1.250000
Total energy: -386.334381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.334381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.334381 (E_RNA)
where:
Base-Base interactions energy: -270.638
where: short stacking energy: -108.980
Base-Backbone interact. energy: -0.007
local terms energy: -115.690284
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -35.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -116.772883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.772883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.772883 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.211
local terms energy: -74.642386
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -100.637623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.637623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.637623 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -37.196
Base-Backbone interact. energy: -0.266
local terms energy: -63.669859
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: 0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -416.805529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.805529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.805529 (E_RNA)
where:
Base-Base interactions energy: -290.436
where: short stacking energy: -120.087
Base-Backbone interact. energy: -0.027
local terms energy: -126.342980
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -38.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -420.323002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.323002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.323002 (E_RNA)
where:
Base-Base interactions energy: -301.028
where: short stacking energy: -124.294
Base-Backbone interact. energy: -0.002
local terms energy: -119.293844
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -26.983
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -35.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -417.510045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.510045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.510045 (E_RNA)
where:
Base-Base interactions energy: -300.424
where: short stacking energy: -122.129
Base-Backbone interact. energy: -0.165
local terms energy: -116.920590
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -35.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -398.820105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.820105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.820105 (E_RNA)
where:
Base-Base interactions energy: -283.435
where: short stacking energy: -114.019
Base-Backbone interact. energy: -0.444
local terms energy: -114.941092
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -35.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -402.340912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.340912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.340912 (E_RNA)
where:
Base-Base interactions energy: -292.120
where: short stacking energy: -120.237
Base-Backbone interact. energy: -0.306
local terms energy: -109.914568
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -33.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -392.839673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.839673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.839673 (E_RNA)
where:
Base-Base interactions energy: -289.501
where: short stacking energy: -119.137
Base-Backbone interact. energy: -0.051
local terms energy: -103.287514
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -31.840
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: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -385.507218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.507218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.507218 (E_RNA)
where:
Base-Base interactions energy: -275.899
where: short stacking energy: -109.851
Base-Backbone interact. energy: -0.002
local terms energy: -109.606114
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -36.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -370.444605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.444605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.444605 (E_RNA)
where:
Base-Base interactions energy: -266.878
where: short stacking energy: -102.945
Base-Backbone interact. energy: -0.065
local terms energy: -103.501873
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -30.931
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: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -107.274309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.274309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.274309 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -34.023
Base-Backbone interact. energy: 0.921
local terms energy: -71.832222
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -0.138
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: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -111.987251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.987251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.987251 (E_RNA)
where:
Base-Base interactions energy: -53.601
where: short stacking energy: -30.721
Base-Backbone interact. energy: 1.187
local terms energy: -59.573154
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -413.222097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.222097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.222097 (E_RNA)
where:
Base-Base interactions energy: -291.461
where: short stacking energy: -117.336
Base-Backbone interact. energy: -0.224
local terms energy: -121.537442
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -20.208
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: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -414.138432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.138432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.138432 (E_RNA)
where:
Base-Base interactions energy: -290.852
where: short stacking energy: -118.039
Base-Backbone interact. energy: -0.520
local terms energy: -122.766572
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -36.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -408.018376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.018376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.018376 (E_RNA)
where:
Base-Base interactions energy: -295.775
where: short stacking energy: -123.958
Base-Backbone interact. energy: -0.003
local terms energy: -112.240318
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -32.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -405.595573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.595573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.595573 (E_RNA)
where:
Base-Base interactions energy: -283.466
where: short stacking energy: -118.486
Base-Backbone interact. energy: -0.009
local terms energy: -122.120904
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -21.763
tors. eta vs tors. theta energy: -33.004
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: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -400.459601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.459601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.459601 (E_RNA)
where:
Base-Base interactions energy: -284.018
where: short stacking energy: -110.709
Base-Backbone interact. energy: -0.021
local terms energy: -116.421140
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -35.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -384.120680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.120680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.120680 (E_RNA)
where:
Base-Base interactions energy: -278.426
where: short stacking energy: -112.866
Base-Backbone interact. energy: -0.572
local terms energy: -105.122780
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -13.793
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: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -386.624664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.624664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.624664 (E_RNA)
where:
Base-Base interactions energy: -275.422
where: short stacking energy: -109.205
Base-Backbone interact. energy: -0.121
local terms energy: -111.081700
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -31.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -381.281633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.281633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.281633 (E_RNA)
where:
Base-Base interactions energy: -274.545
where: short stacking energy: -117.967
Base-Backbone interact. energy: -0.002
local terms energy: -106.734340
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -35.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -103.401690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.401690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.401690 (E_RNA)
where:
Base-Base interactions energy: -36.905
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.279
local terms energy: -66.217767
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -118.010026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.010026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.010026 (E_RNA)
where:
Base-Base interactions energy: -53.846
where: short stacking energy: -27.862
Base-Backbone interact. energy: -0.154
local terms energy: -64.010424
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: 2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -425.929171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.929171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.929171 (E_RNA)
where:
Base-Base interactions energy: -299.171
where: short stacking energy: -124.902
Base-Backbone interact. energy: -0.192
local terms energy: -126.566182
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -37.606
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: 324
Temperature: 0.950000
Total energy: -410.313337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.313337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.313337 (E_RNA)
where:
Base-Base interactions energy: -290.030
where: short stacking energy: -128.037
Base-Backbone interact. energy: -0.014
local terms energy: -120.269879
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -36.827
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: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -409.175351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.175351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.175351 (E_RNA)
where:
Base-Base interactions energy: -289.449
where: short stacking energy: -122.367
Base-Backbone interact. energy: -0.041
local terms energy: -119.685506
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -36.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -402.263859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.263859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.263859 (E_RNA)
where:
Base-Base interactions energy: -280.705
where: short stacking energy: -120.405
Base-Backbone interact. energy: -0.006
local terms energy: -121.553033
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -37.041
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: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -401.721960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.721960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.721960 (E_RNA)
where:
Base-Base interactions energy: -277.158
where: short stacking energy: -111.737
Base-Backbone interact. energy: -0.872
local terms energy: -123.691526
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -35.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -397.686872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.686872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.686872 (E_RNA)
where:
Base-Base interactions energy: -280.288
where: short stacking energy: -120.245
Base-Backbone interact. energy: -0.010
local terms energy: -117.388989
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -34.740
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: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -389.230399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.230399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.230399 (E_RNA)
where:
Base-Base interactions energy: -271.225
where: short stacking energy: -107.959
Base-Backbone interact. energy: -0.533
local terms energy: -117.472460
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -34.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -387.009065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.009065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.009065 (E_RNA)
where:
Base-Base interactions energy: -277.972
where: short stacking energy: -103.898
Base-Backbone interact. energy: -0.131
local terms energy: -108.906842
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -32.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -117.473316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.473316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.473316 (E_RNA)
where:
Base-Base interactions energy: -43.354
where: short stacking energy: -33.380
Base-Backbone interact. energy: -0.049
local terms energy: -74.070986
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -1.916
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: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -124.626256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.626256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.626256 (E_RNA)
where:
Base-Base interactions energy: -56.345
where: short stacking energy: -33.749
Base-Backbone interact. energy: -0.511
local terms energy: -67.770101
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -2.769
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: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -424.839967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.839967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.839967 (E_RNA)
where:
Base-Base interactions energy: -294.660
where: short stacking energy: -126.358
Base-Backbone interact. energy: -0.841
local terms energy: -129.339400
where:
bonds (distance) C4'-P energy: -24.473
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -36.752
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: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -412.442996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.442996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.442996 (E_RNA)
where:
Base-Base interactions energy: -292.162
where: short stacking energy: -110.589
Base-Backbone interact. energy: -0.010
local terms energy: -120.271289
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -36.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -413.337875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.337875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.337875 (E_RNA)
where:
Base-Base interactions energy: -288.897
where: short stacking energy: -109.420
Base-Backbone interact. energy: -0.064
local terms energy: -124.377556
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -34.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -402.165419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.165419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.165419 (E_RNA)
where:
Base-Base interactions energy: -287.958
where: short stacking energy: -121.628
Base-Backbone interact. energy: -0.098
local terms energy: -114.109858
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -33.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -399.869747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.869747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.869747 (E_RNA)
where:
Base-Base interactions energy: -286.509
where: short stacking energy: -119.578
Base-Backbone interact. energy: -0.005
local terms energy: -113.355970
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -37.705
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: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -396.215361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.215361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.215361 (E_RNA)
where:
Base-Base interactions energy: -289.722
where: short stacking energy: -116.220
Base-Backbone interact. energy: -0.007
local terms energy: -106.486736
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -29.873
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: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -382.713304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.713304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.713304 (E_RNA)
where:
Base-Base interactions energy: -272.898
where: short stacking energy: -105.098
Base-Backbone interact. energy: 0.233
local terms energy: -110.048843
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -35.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -388.666479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.666479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.666479 (E_RNA)
where:
Base-Base interactions energy: -279.167
where: short stacking energy: -108.047
Base-Backbone interact. energy: -0.451
local terms energy: -109.048979
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -18.288
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: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -111.893477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.893477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.893477 (E_RNA)
where:
Base-Base interactions energy: -46.100
where: short stacking energy: -30.448
Base-Backbone interact. energy: 0.017
local terms energy: -65.810475
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -1.242
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: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -126.978182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.978182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.978182 (E_RNA)
where:
Base-Base interactions energy: -59.950
where: short stacking energy: -45.204
Base-Backbone interact. energy: 0.517
local terms energy: -67.545492
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -12.797
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: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -417.741306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.741306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.741306 (E_RNA)
where:
Base-Base interactions energy: -300.210
where: short stacking energy: -121.591
Base-Backbone interact. energy: -0.003
local terms energy: -117.528130
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -18.244
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -412.138879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.138879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.138879 (E_RNA)
where:
Base-Base interactions energy: -284.286
where: short stacking energy: -112.210
Base-Backbone interact. energy: -0.815
local terms energy: -127.037725
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -17.516
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: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -413.617724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.617724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.617724 (E_RNA)
where:
Base-Base interactions energy: -288.857
where: short stacking energy: -118.794
Base-Backbone interact. energy: -0.114
local terms energy: -124.647486
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -34.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -406.927795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.927795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.927795 (E_RNA)
where:
Base-Base interactions energy: -292.528
where: short stacking energy: -124.131
Base-Backbone interact. energy: -0.043
local terms energy: -114.357098
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -35.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -404.223928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.223928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.223928 (E_RNA)
where:
Base-Base interactions energy: -287.478
where: short stacking energy: -116.097
Base-Backbone interact. energy: -0.157
local terms energy: -116.588649
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -36.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -396.098841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.098841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.098841 (E_RNA)
where:
Base-Base interactions energy: -280.450
where: short stacking energy: -117.855
Base-Backbone interact. energy: -0.372
local terms energy: -115.276791
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -36.306
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: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -395.443858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.443858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.443858 (E_RNA)
where:
Base-Base interactions energy: -279.604
where: short stacking energy: -104.771
Base-Backbone interact. energy: -0.013
local terms energy: -115.827154
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -31.694
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: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -375.454275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.454275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.454275 (E_RNA)
where:
Base-Base interactions energy: -259.909
where: short stacking energy: -101.064
Base-Backbone interact. energy: -0.062
local terms energy: -115.483478
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -29.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -112.617533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.617533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.617533 (E_RNA)
where:
Base-Base interactions energy: -49.250
where: short stacking energy: -37.291
Base-Backbone interact. energy: -0.198
local terms energy: -63.169515
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -95.053710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.053710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.053710 (E_RNA)
where:
Base-Base interactions energy: -26.392
where: short stacking energy: -26.392
Base-Backbone interact. energy: -0.060
local terms energy: -68.601913
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -422.092303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.092303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.092303 (E_RNA)
where:
Base-Base interactions energy: -301.805
where: short stacking energy: -122.031
Base-Backbone interact. energy: -0.001
local terms energy: -120.286745
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -35.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -418.806303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.806303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.806303 (E_RNA)
where:
Base-Base interactions energy: -295.466
where: short stacking energy: -125.828
Base-Backbone interact. energy: -0.007
local terms energy: -123.333528
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -37.468
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: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -414.940001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.940001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.940001 (E_RNA)
where:
Base-Base interactions energy: -298.087
where: short stacking energy: -120.498
Base-Backbone interact. energy: -0.021
local terms energy: -116.832617
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -35.475
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: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -401.263746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.263746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.263746 (E_RNA)
where:
Base-Base interactions energy: -286.095
where: short stacking energy: -113.297
Base-Backbone interact. energy: -0.001
local terms energy: -115.168088
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -36.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -389.007542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.007542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.007542 (E_RNA)
where:
Base-Base interactions energy: -272.840
where: short stacking energy: -107.465
Base-Backbone interact. energy: -0.689
local terms energy: -115.478512
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -33.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -393.145842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.145842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.145842 (E_RNA)
where:
Base-Base interactions energy: -284.702
where: short stacking energy: -118.050
Base-Backbone interact. energy: -0.002
local terms energy: -108.441683
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -37.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -390.939646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.939646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.939646 (E_RNA)
where:
Base-Base interactions energy: -281.263
where: short stacking energy: -118.135
Base-Backbone interact. energy: -0.222
local terms energy: -109.454671
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -16.791
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: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -380.743198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.743198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.743198 (E_RNA)
where:
Base-Base interactions energy: -270.772
where: short stacking energy: -107.749
Base-Backbone interact. energy: -0.694
local terms energy: -109.277539
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -31.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -120.457065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.457065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.457065 (E_RNA)
where:
Base-Base interactions energy: -65.525
where: short stacking energy: -49.435
Base-Backbone interact. energy: -0.575
local terms energy: -54.356427
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -103.045891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.045891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.045891 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -24.437
Base-Backbone interact. energy: -1.004
local terms energy: -66.327265
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: 1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -421.382545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.382545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.382545 (E_RNA)
where:
Base-Base interactions energy: -297.407
where: short stacking energy: -128.987
Base-Backbone interact. energy: -0.000
local terms energy: -123.975203
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -35.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -409.430926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.430926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.430926 (E_RNA)
where:
Base-Base interactions energy: -291.810
where: short stacking energy: -121.065
Base-Backbone interact. energy: -0.128
local terms energy: -117.492568
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -34.463
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: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -409.266823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.266823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.266823 (E_RNA)
where:
Base-Base interactions energy: -288.239
where: short stacking energy: -111.510
Base-Backbone interact. energy: -0.314
local terms energy: -120.714204
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -27.102
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -33.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -406.115761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.115761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.115761 (E_RNA)
where:
Base-Base interactions energy: -287.729
where: short stacking energy: -125.348
Base-Backbone interact. energy: -0.001
local terms energy: -118.386332
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -399.275053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.275053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.275053 (E_RNA)
where:
Base-Base interactions energy: -283.242
where: short stacking energy: -118.585
Base-Backbone interact. energy: -0.060
local terms energy: -115.973474
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -17.361
tors. eta vs tors. theta energy: -33.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -395.946048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.946048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.946048 (E_RNA)
where:
Base-Base interactions energy: -274.316
where: short stacking energy: -115.723
Base-Backbone interact. energy: -0.603
local terms energy: -121.027347
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -37.107
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: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -388.091447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.091447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.091447 (E_RNA)
where:
Base-Base interactions energy: -271.870
where: short stacking energy: -111.922
Base-Backbone interact. energy: -0.343
local terms energy: -115.877977
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -31.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -375.927674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.927674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.927674 (E_RNA)
where:
Base-Base interactions energy: -273.739
where: short stacking energy: -112.689
Base-Backbone interact. energy: 1.308
local terms energy: -103.496618
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -33.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -126.854262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.854262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.854262 (E_RNA)
where:
Base-Base interactions energy: -52.069
where: short stacking energy: -45.752
Base-Backbone interact. energy: 1.421
local terms energy: -76.206218
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: 0.458
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: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -111.003771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.003771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.003771 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -33.433
Base-Backbone interact. energy: 0.110
local terms energy: -74.699001
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -422.681501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.681501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.681501 (E_RNA)
where:
Base-Base interactions energy: -295.985
where: short stacking energy: -127.763
Base-Backbone interact. energy: -0.206
local terms energy: -126.490471
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -35.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -411.018197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.018197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.018197 (E_RNA)
where:
Base-Base interactions energy: -291.580
where: short stacking energy: -124.289
Base-Backbone interact. energy: -0.116
local terms energy: -119.321941
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -37.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -415.731329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.731329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.731329 (E_RNA)
where:
Base-Base interactions energy: -290.871
where: short stacking energy: -121.532
Base-Backbone interact. energy: -0.282
local terms energy: -124.577677
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -26.217
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -38.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -402.716071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.716071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.716071 (E_RNA)
where:
Base-Base interactions energy: -294.117
where: short stacking energy: -122.808
Base-Backbone interact. energy: -0.117
local terms energy: -108.482483
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -25.380
flat angles P-C4'-P energy: -14.488
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: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -396.547956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.547956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.547956 (E_RNA)
where:
Base-Base interactions energy: -282.805
where: short stacking energy: -110.705
Base-Backbone interact. energy: -0.559
local terms energy: -113.184372
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -34.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -380.635716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.635716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.635716 (E_RNA)
where:
Base-Base interactions energy: -276.521
where: short stacking energy: -114.266
Base-Backbone interact. energy: 1.128
local terms energy: -105.242528
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -35.085
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: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -376.861773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.861773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.861773 (E_RNA)
where:
Base-Base interactions energy: -265.734
where: short stacking energy: -108.487
Base-Backbone interact. energy: -0.819
local terms energy: -110.308572
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -31.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -385.479982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.479982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.479982 (E_RNA)
where:
Base-Base interactions energy: -281.708
where: short stacking energy: -112.928
Base-Backbone interact. energy: -0.021
local terms energy: -103.750742
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -32.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -101.742038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.742038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.742038 (E_RNA)
where:
Base-Base interactions energy: -40.267
where: short stacking energy: -34.762
Base-Backbone interact. energy: -0.269
local terms energy: -61.206222
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: 0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -103.662813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.662813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.662813 (E_RNA)
where:
Base-Base interactions energy: -39.003
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.391
local terms energy: -64.268267
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -421.674871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.674871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.674871 (E_RNA)
where:
Base-Base interactions energy: -298.371
where: short stacking energy: -119.544
Base-Backbone interact. energy: -0.163
local terms energy: -123.141420
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -38.048
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: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -419.445771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.445771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.445771 (E_RNA)
where:
Base-Base interactions energy: -293.574
where: short stacking energy: -125.099
Base-Backbone interact. energy: -0.002
local terms energy: -125.870444
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -39.556
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: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -412.402883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.402883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.402883 (E_RNA)
where:
Base-Base interactions energy: -284.400
where: short stacking energy: -122.456
Base-Backbone interact. energy: -0.281
local terms energy: -127.722005
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -36.371
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: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -410.708086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.708086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.708086 (E_RNA)
where:
Base-Base interactions energy: -289.745
where: short stacking energy: -117.491
Base-Backbone interact. energy: -0.004
local terms energy: -120.959261
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -35.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -403.296146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.296146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.296146 (E_RNA)
where:
Base-Base interactions energy: -290.929
where: short stacking energy: -122.837
Base-Backbone interact. energy: -0.139
local terms energy: -112.227790
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -17.289
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: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -382.273955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.273955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.273955 (E_RNA)
where:
Base-Base interactions energy: -275.949
where: short stacking energy: -110.088
Base-Backbone interact. energy: -0.041
local terms energy: -106.284033
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -33.236
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: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -390.106902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.106902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.106902 (E_RNA)
where:
Base-Base interactions energy: -273.719
where: short stacking energy: -104.838
Base-Backbone interact. energy: -0.008
local terms energy: -116.380117
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -33.451
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: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -390.676507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.676507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.676507 (E_RNA)
where:
Base-Base interactions energy: -278.120
where: short stacking energy: -114.533
Base-Backbone interact. energy: -0.211
local terms energy: -112.346187
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -38.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -110.357391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.357391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.357391 (E_RNA)
where:
Base-Base interactions energy: -40.378
where: short stacking energy: -43.375
Base-Backbone interact. energy: -0.570
local terms energy: -69.409752
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -112.604858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.604858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.604858 (E_RNA)
where:
Base-Base interactions energy: -43.432
where: short stacking energy: -23.789
Base-Backbone interact. energy: -0.526
local terms energy: -68.646396
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -427.871118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.871118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.871118 (E_RNA)
where:
Base-Base interactions energy: -300.743
where: short stacking energy: -121.912
Base-Backbone interact. energy: -0.158
local terms energy: -126.970159
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -25.774
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -36.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -411.580321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.580321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.580321 (E_RNA)
where:
Base-Base interactions energy: -299.569
where: short stacking energy: -125.735
Base-Backbone interact. energy: -0.344
local terms energy: -111.667793
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -35.024
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: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -410.059863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.059863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.059863 (E_RNA)
where:
Base-Base interactions energy: -296.854
where: short stacking energy: -116.444
Base-Backbone interact. energy: -0.731
local terms energy: -112.474691
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -33.636
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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -406.910971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.910971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.910971 (E_RNA)
where:
Base-Base interactions energy: -291.884
where: short stacking energy: -116.673
Base-Backbone interact. energy: -0.005
local terms energy: -115.021647
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -35.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -396.867509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.867509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.867509 (E_RNA)
where:
Base-Base interactions energy: -280.587
where: short stacking energy: -112.677
Base-Backbone interact. energy: -0.012
local terms energy: -116.268464
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -35.481
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: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -394.703302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.703302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.703302 (E_RNA)
where:
Base-Base interactions energy: -277.713
where: short stacking energy: -116.866
Base-Backbone interact. energy: -0.002
local terms energy: -116.988591
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -37.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -378.602130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.602130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.602130 (E_RNA)
where:
Base-Base interactions energy: -276.355
where: short stacking energy: -111.496
Base-Backbone interact. energy: -0.487
local terms energy: -101.760715
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -31.119
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: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -360.379686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.379686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.379686 (E_RNA)
where:
Base-Base interactions energy: -263.137
where: short stacking energy: -108.968
Base-Backbone interact. energy: -0.025
local terms energy: -97.217240
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -29.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -103.643806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.643806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.643806 (E_RNA)
where:
Base-Base interactions energy: -39.837
where: short stacking energy: -34.667
Base-Backbone interact. energy: -0.268
local terms energy: -63.539114
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -11.852
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -116.291689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.291689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.291689 (E_RNA)
where:
Base-Base interactions energy: -39.862
where: short stacking energy: -39.862
Base-Backbone interact. energy: -1.267
local terms energy: -75.162340
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -4.799
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: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -420.411443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.411443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.411443 (E_RNA)
where:
Base-Base interactions energy: -295.977
where: short stacking energy: -113.802
Base-Backbone interact. energy: -0.000
local terms energy: -124.434724
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -25.024
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -412.943683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.943683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.943683 (E_RNA)
where:
Base-Base interactions energy: -287.667
where: short stacking energy: -113.114
Base-Backbone interact. energy: -0.169
local terms energy: -125.107658
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -33.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -409.635309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.635309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.635309 (E_RNA)
where:
Base-Base interactions energy: -292.455
where: short stacking energy: -119.866
Base-Backbone interact. energy: -0.139
local terms energy: -117.041577
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -35.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -406.249222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.249222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.249222 (E_RNA)
where:
Base-Base interactions energy: -292.297
where: short stacking energy: -111.797
Base-Backbone interact. energy: -0.136
local terms energy: -113.816422
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -18.223
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: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -396.214937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.214937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.214937 (E_RNA)
where:
Base-Base interactions energy: -280.495
where: short stacking energy: -117.746
Base-Backbone interact. energy: -0.003
local terms energy: -115.716862
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -36.928
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: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -382.130523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.130523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.130523 (E_RNA)
where:
Base-Base interactions energy: -274.119
where: short stacking energy: -109.815
Base-Backbone interact. energy: 1.842
local terms energy: -109.853087
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -33.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -372.575873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.575873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.575873 (E_RNA)
where:
Base-Base interactions energy: -260.685
where: short stacking energy: -100.224
Base-Backbone interact. energy: 1.676
local terms energy: -113.567100
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -34.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -383.339475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.339475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.339475 (E_RNA)
where:
Base-Base interactions energy: -267.454
where: short stacking energy: -105.151
Base-Backbone interact. energy: -0.015
local terms energy: -115.870291
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -30.333
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: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -117.783487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.783487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.783487 (E_RNA)
where:
Base-Base interactions energy: -55.084
where: short stacking energy: -32.390
Base-Backbone interact. energy: 2.865
local terms energy: -65.564580
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: 1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -106.207128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.207128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.207128 (E_RNA)
where:
Base-Base interactions energy: -35.576
where: short stacking energy: -34.972
Base-Backbone interact. energy: -0.295
local terms energy: -70.336351
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -2.780
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: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -424.779080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.779080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.779080 (E_RNA)
where:
Base-Base interactions energy: -301.094
where: short stacking energy: -120.262
Base-Backbone interact. energy: -0.001
local terms energy: -123.683833
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -19.858
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: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -413.951509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.951509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.951509 (E_RNA)
where:
Base-Base interactions energy: -293.222
where: short stacking energy: -123.161
Base-Backbone interact. energy: -0.002
local terms energy: -120.728317
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -17.405
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: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -412.495384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.495384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.495384 (E_RNA)
where:
Base-Base interactions energy: -284.103
where: short stacking energy: -122.871
Base-Backbone interact. energy: -0.022
local terms energy: -128.370143
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -36.897
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: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -406.567257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.567257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.567257 (E_RNA)
where:
Base-Base interactions energy: -284.227
where: short stacking energy: -115.120
Base-Backbone interact. energy: -0.001
local terms energy: -122.339556
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -19.595
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: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -394.842520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.842520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.842520 (E_RNA)
where:
Base-Base interactions energy: -278.087
where: short stacking energy: -114.297
Base-Backbone interact. energy: -0.019
local terms energy: -116.736178
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -16.492
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: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -386.979245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.979245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.979245 (E_RNA)
where:
Base-Base interactions energy: -268.837
where: short stacking energy: -110.011
Base-Backbone interact. energy: -0.531
local terms energy: -117.611501
where:
bonds (distance) C4'-P energy: -22.832
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -16.262
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: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -379.763473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.763473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.763473 (E_RNA)
where:
Base-Base interactions energy: -275.348
where: short stacking energy: -114.287
Base-Backbone interact. energy: -0.096
local terms energy: -104.319413
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -31.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -375.273749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.273749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.273749 (E_RNA)
where:
Base-Base interactions energy: -266.537
where: short stacking energy: -103.963
Base-Backbone interact. energy: -0.201
local terms energy: -108.535884
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -34.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -103.539700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.539700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.539700 (E_RNA)
where:
Base-Base interactions energy: -40.490
where: short stacking energy: -31.818
Base-Backbone interact. energy: 1.442
local terms energy: -64.492395
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: 0.895
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: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -107.419824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.419824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.419824 (E_RNA)
where:
Base-Base interactions energy: -37.700
where: short stacking energy: -37.700
Base-Backbone interact. energy: -0.387
local terms energy: -69.332708
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -6.925
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: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -421.226760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.226760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.226760 (E_RNA)
where:
Base-Base interactions energy: -300.565
where: short stacking energy: -125.507
Base-Backbone interact. energy: -0.051
local terms energy: -120.610291
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -35.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -413.507756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.507756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.507756 (E_RNA)
where:
Base-Base interactions energy: -288.539
where: short stacking energy: -122.215
Base-Backbone interact. energy: -0.052
local terms energy: -124.916636
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -38.453
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: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -405.822697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.822697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.822697 (E_RNA)
where:
Base-Base interactions energy: -289.807
where: short stacking energy: -125.413
Base-Backbone interact. energy: -0.001
local terms energy: -116.014549
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -24.613
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -37.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -402.563940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.563940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.563940 (E_RNA)
where:
Base-Base interactions energy: -288.392
where: short stacking energy: -115.886
Base-Backbone interact. energy: -0.002
local terms energy: -114.170138
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -35.929
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: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -404.894521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.894521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.894521 (E_RNA)
where:
Base-Base interactions energy: -283.412
where: short stacking energy: -115.778
Base-Backbone interact. energy: 0.924
local terms energy: -122.406987
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -34.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -403.002399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.002399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.002399 (E_RNA)
where:
Base-Base interactions energy: -286.270
where: short stacking energy: -114.270
Base-Backbone interact. energy: -0.411
local terms energy: -116.321066
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -32.476
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: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -378.649308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.649308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.649308 (E_RNA)
where:
Base-Base interactions energy: -274.802
where: short stacking energy: -115.057
Base-Backbone interact. energy: -0.296
local terms energy: -103.551617
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -30.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -393.844561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.844561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.844561 (E_RNA)
where:
Base-Base interactions energy: -280.226
where: short stacking energy: -117.204
Base-Backbone interact. energy: -0.005
local terms energy: -113.613332
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -36.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -125.379661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.379661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.379661 (E_RNA)
where:
Base-Base interactions energy: -53.073
where: short stacking energy: -48.949
Base-Backbone interact. energy: -0.944
local terms energy: -71.363066
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -6.922
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: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -115.542411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.542411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.542411 (E_RNA)
where:
Base-Base interactions energy: -55.927
where: short stacking energy: -29.522
Base-Backbone interact. energy: -0.431
local terms energy: -59.184615
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -429.540615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.540615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.540615 (E_RNA)
where:
Base-Base interactions energy: -301.438
where: short stacking energy: -122.742
Base-Backbone interact. energy: -0.162
local terms energy: -127.940086
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -36.464
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: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -414.075230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.075230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.075230 (E_RNA)
where:
Base-Base interactions energy: -291.667
where: short stacking energy: -120.683
Base-Backbone interact. energy: -0.024
local terms energy: -122.384075
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -37.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -406.206769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.206769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.206769 (E_RNA)
where:
Base-Base interactions energy: -289.009
where: short stacking energy: -116.016
Base-Backbone interact. energy: -0.166
local terms energy: -117.031181
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -35.087
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: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -402.877965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.877965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.877965 (E_RNA)
where:
Base-Base interactions energy: -283.674
where: short stacking energy: -113.752
Base-Backbone interact. energy: -0.014
local terms energy: -119.189948
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -34.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -400.119256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.119256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.119256 (E_RNA)
where:
Base-Base interactions energy: -283.210
where: short stacking energy: -115.686
Base-Backbone interact. energy: -0.510
local terms energy: -116.398683
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -35.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -392.410931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.410931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.410931 (E_RNA)
where:
Base-Base interactions energy: -283.453
where: short stacking energy: -110.932
Base-Backbone interact. energy: -0.524
local terms energy: -108.433765
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -31.193
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: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -381.772920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.772920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.772920 (E_RNA)
where:
Base-Base interactions energy: -278.084
where: short stacking energy: -105.859
Base-Backbone interact. energy: -0.578
local terms energy: -103.111404
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -31.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -372.083065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.083065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.083065 (E_RNA)
where:
Base-Base interactions energy: -264.690
where: short stacking energy: -109.043
Base-Backbone interact. energy: -0.366
local terms energy: -107.027686
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -31.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -102.886827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.886827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.886827 (E_RNA)
where:
Base-Base interactions energy: -41.900
where: short stacking energy: -16.639
Base-Backbone interact. energy: 1.079
local terms energy: -62.065218
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: 9.144
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: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -112.493280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.493280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.493280 (E_RNA)
where:
Base-Base interactions energy: -49.592
where: short stacking energy: -42.887
Base-Backbone interact. energy: -0.044
local terms energy: -62.856393
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -17.007
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: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -421.352201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.352201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.352201 (E_RNA)
where:
Base-Base interactions energy: -295.417
where: short stacking energy: -122.172
Base-Backbone interact. energy: -0.786
local terms energy: -125.149592
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -36.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -412.477956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.477956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.477956 (E_RNA)
where:
Base-Base interactions energy: -294.315
where: short stacking energy: -124.468
Base-Backbone interact. energy: -0.067
local terms energy: -118.095873
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -34.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -412.674431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.674431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.674431 (E_RNA)
where:
Base-Base interactions energy: -292.910
where: short stacking energy: -116.573
Base-Backbone interact. energy: -0.240
local terms energy: -119.525247
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -33.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -403.440291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.440291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.440291 (E_RNA)
where:
Base-Base interactions energy: -292.832
where: short stacking energy: -123.595
Base-Backbone interact. energy: -0.281
local terms energy: -110.326819
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -35.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -391.151076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.151076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.151076 (E_RNA)
where:
Base-Base interactions energy: -280.725
where: short stacking energy: -110.886
Base-Backbone interact. energy: -0.485
local terms energy: -109.941655
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -33.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -389.205819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.205819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.205819 (E_RNA)
where:
Base-Base interactions energy: -276.230
where: short stacking energy: -111.560
Base-Backbone interact. energy: -0.027
local terms energy: -112.949027
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -379.202060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.202060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.202060 (E_RNA)
where:
Base-Base interactions energy: -267.156
where: short stacking energy: -105.970
Base-Backbone interact. energy: -1.107
local terms energy: -110.938873
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -32.261
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: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -374.616450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.616450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.616450 (E_RNA)
where:
Base-Base interactions energy: -268.863
where: short stacking energy: -103.404
Base-Backbone interact. energy: -0.580
local terms energy: -105.173531
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -16.304
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: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -103.230364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.230364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.230364 (E_RNA)
where:
Base-Base interactions energy: -35.393
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.226
local terms energy: -67.611640
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: 0.219
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: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -103.787454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.787454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.787454 (E_RNA)
where:
Base-Base interactions energy: -34.692
where: short stacking energy: -32.705
Base-Backbone interact. energy: -0.923
local terms energy: -68.173188
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -425.460997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.460997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.460997 (E_RNA)
where:
Base-Base interactions energy: -296.794
where: short stacking energy: -121.388
Base-Backbone interact. energy: -0.001
local terms energy: -128.665789
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -36.983
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: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -415.278990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.278990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.278990 (E_RNA)
where:
Base-Base interactions energy: -285.947
where: short stacking energy: -119.077
Base-Backbone interact. energy: -0.239
local terms energy: -129.092101
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -22.435
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -37.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -409.589251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.589251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.589251 (E_RNA)
where:
Base-Base interactions energy: -289.480
where: short stacking energy: -114.654
Base-Backbone interact. energy: -1.109
local terms energy: -119.000743
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -19.236
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: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -397.109636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.109636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.109636 (E_RNA)
where:
Base-Base interactions energy: -283.128
where: short stacking energy: -115.764
Base-Backbone interact. energy: -0.796
local terms energy: -113.185049
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -32.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -391.288209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.288209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.288209 (E_RNA)
where:
Base-Base interactions energy: -281.040
where: short stacking energy: -118.969
Base-Backbone interact. energy: -0.109
local terms energy: -110.138661
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -33.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -404.069549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.069549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.069549 (E_RNA)
where:
Base-Base interactions energy: -283.625
where: short stacking energy: -118.480
Base-Backbone interact. energy: -0.265
local terms energy: -120.179476
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -25.381
flat angles P-C4'-P energy: -18.153
tors. eta vs tors. theta energy: -35.836
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: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -384.074253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.074253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.074253 (E_RNA)
where:
Base-Base interactions energy: -278.625
where: short stacking energy: -111.334
Base-Backbone interact. energy: -0.002
local terms energy: -105.446732
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -33.608
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: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -386.110372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.110372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.110372 (E_RNA)
where:
Base-Base interactions energy: -275.943
where: short stacking energy: -106.615
Base-Backbone interact. energy: -0.024
local terms energy: -110.142773
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -32.410
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: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -127.997279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.997279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.997279 (E_RNA)
where:
Base-Base interactions energy: -56.026
where: short stacking energy: -34.917
Base-Backbone interact. energy: -0.143
local terms energy: -71.828423
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -6.169
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: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -108.120243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.120243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.120243 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -36.501
Base-Backbone interact. energy: -0.098
local terms energy: -72.821801
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -422.307183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.307183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.307183 (E_RNA)
where:
Base-Base interactions energy: -294.140
where: short stacking energy: -120.285
Base-Backbone interact. energy: -1.224
local terms energy: -126.942734
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -37.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -424.323343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.323343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.323343 (E_RNA)
where:
Base-Base interactions energy: -302.934
where: short stacking energy: -120.406
Base-Backbone interact. energy: 1.135
local terms energy: -122.524195
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: -37.536
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: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -413.993702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.993702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.993702 (E_RNA)
where:
Base-Base interactions energy: -290.467
where: short stacking energy: -119.213
Base-Backbone interact. energy: -0.125
local terms energy: -123.402562
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -37.632
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: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -407.750479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.750479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.750479 (E_RNA)
where:
Base-Base interactions energy: -294.254
where: short stacking energy: -119.096
Base-Backbone interact. energy: -0.375
local terms energy: -113.121281
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -33.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -409.443938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.443938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.443938 (E_RNA)
where:
Base-Base interactions energy: -288.923
where: short stacking energy: -117.725
Base-Backbone interact. energy: -0.001
local terms energy: -120.519006
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -35.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -395.329727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.329727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.329727 (E_RNA)
where:
Base-Base interactions energy: -281.451
where: short stacking energy: -116.378
Base-Backbone interact. energy: 0.420
local terms energy: -114.298523
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -35.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -400.403731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.403731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.403731 (E_RNA)
where:
Base-Base interactions energy: -296.204
where: short stacking energy: -122.411
Base-Backbone interact. energy: -0.005
local terms energy: -104.194507
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -35.153
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: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -378.269863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.269863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.269863 (E_RNA)
where:
Base-Base interactions energy: -266.894
where: short stacking energy: -106.285
Base-Backbone interact. energy: -0.195
local terms energy: -111.180932
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -143.454300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.454300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.454300 (E_RNA)
where:
Base-Base interactions energy: -72.468
where: short stacking energy: -31.070
Base-Backbone interact. energy: -2.292
local terms energy: -68.693743
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -1.477
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: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -107.133084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.133084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.133084 (E_RNA)
where:
Base-Base interactions energy: -42.328
where: short stacking energy: -32.982
Base-Backbone interact. energy: -1.226
local terms energy: -63.579396
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -414.554126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.554126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.554126 (E_RNA)
where:
Base-Base interactions energy: -294.577
where: short stacking energy: -125.682
Base-Backbone interact. energy: -0.414
local terms energy: -119.562871
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -24.099
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -36.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -421.710809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.710809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.710809 (E_RNA)
where:
Base-Base interactions energy: -300.047
where: short stacking energy: -122.434
Base-Backbone interact. energy: -0.002
local terms energy: -121.661917
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -36.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -410.982950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.982950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.982950 (E_RNA)
where:
Base-Base interactions energy: -290.496
where: short stacking energy: -121.734
Base-Backbone interact. energy: -0.058
local terms energy: -120.428788
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -36.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -398.499590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.499590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.499590 (E_RNA)
where:
Base-Base interactions energy: -291.521
where: short stacking energy: -119.358
Base-Backbone interact. energy: -0.051
local terms energy: -106.927904
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -37.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -404.562123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.562123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.562123 (E_RNA)
where:
Base-Base interactions energy: -286.216
where: short stacking energy: -111.635
Base-Backbone interact. energy: -0.041
local terms energy: -118.304980
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -34.316
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: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -392.229917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.229917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.229917 (E_RNA)
where:
Base-Base interactions energy: -291.839
where: short stacking energy: -117.995
Base-Backbone interact. energy: -0.257
local terms energy: -100.133476
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -36.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -390.250457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.250457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.250457 (E_RNA)
where:
Base-Base interactions energy: -276.335
where: short stacking energy: -115.745
Base-Backbone interact. energy: -0.001
local terms energy: -113.915015
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -34.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -385.400411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.400411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.400411 (E_RNA)
where:
Base-Base interactions energy: -277.423
where: short stacking energy: -108.596
Base-Backbone interact. energy: -0.441
local terms energy: -107.536146
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -34.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -126.111459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.111459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.111459 (E_RNA)
where:
Base-Base interactions energy: -52.193
where: short stacking energy: -52.193
Base-Backbone interact. energy: -0.382
local terms energy: -73.537054
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -5.518
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: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -115.786583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.786583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.786583 (E_RNA)
where:
Base-Base interactions energy: -44.572
where: short stacking energy: -34.690
Base-Backbone interact. energy: 0.023
local terms energy: -71.237219
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -3.903
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: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -415.834204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.834204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.834204 (E_RNA)
where:
Base-Base interactions energy: -296.172
where: short stacking energy: -122.253
Base-Backbone interact. energy: -0.149
local terms energy: -119.513773
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -35.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -411.888769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.888769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.888769 (E_RNA)
where:
Base-Base interactions energy: -296.765
where: short stacking energy: -121.493
Base-Backbone interact. energy: -0.040
local terms energy: -115.084212
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -36.750
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: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -408.847311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.847311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.847311 (E_RNA)
where:
Base-Base interactions energy: -294.025
where: short stacking energy: -123.236
Base-Backbone interact. energy: -0.016
local terms energy: -114.806529
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -37.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -400.400649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.400649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.400649 (E_RNA)
where:
Base-Base interactions energy: -284.225
where: short stacking energy: -117.921
Base-Backbone interact. energy: -0.633
local terms energy: -115.542505
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -33.875
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: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -388.217669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.217669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.217669 (E_RNA)
where:
Base-Base interactions energy: -282.503
where: short stacking energy: -111.577
Base-Backbone interact. energy: -0.204
local terms energy: -105.511144
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -30.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -395.605453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.605453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.605453 (E_RNA)
where:
Base-Base interactions energy: -284.565
where: short stacking energy: -119.079
Base-Backbone interact. energy: -0.166
local terms energy: -110.874326
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -34.353
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: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -377.378870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.378870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.378870 (E_RNA)
where:
Base-Base interactions energy: -271.559
where: short stacking energy: -111.706
Base-Backbone interact. energy: -0.007
local terms energy: -105.812577
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -32.512
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: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -385.952082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.952082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.952082 (E_RNA)
where:
Base-Base interactions energy: -275.368
where: short stacking energy: -108.824
Base-Backbone interact. energy: -0.031
local terms energy: -110.552536
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -33.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -113.786394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.786394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.786394 (E_RNA)
where:
Base-Base interactions energy: -47.129
where: short stacking energy: -34.308
Base-Backbone interact. energy: -0.485
local terms energy: -66.172228
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -2.087
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: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -112.226163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.226163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.226163 (E_RNA)
where:
Base-Base interactions energy: -45.082
where: short stacking energy: -34.912
Base-Backbone interact. energy: 0.017
local terms energy: -67.160723
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -422.122602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.122602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.122602 (E_RNA)
where:
Base-Base interactions energy: -296.493
where: short stacking energy: -122.227
Base-Backbone interact. energy: -0.600
local terms energy: -125.029360
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -17.985
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -420.563231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.563231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.563231 (E_RNA)
where:
Base-Base interactions energy: -299.312
where: short stacking energy: -125.597
Base-Backbone interact. energy: -0.002
local terms energy: -121.248355
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -35.764
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: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -404.671592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.671592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.671592 (E_RNA)
where:
Base-Base interactions energy: -289.311
where: short stacking energy: -122.572
Base-Backbone interact. energy: -0.847
local terms energy: -114.513887
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -34.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -402.074682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.074682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.074682 (E_RNA)
where:
Base-Base interactions energy: -289.230
where: short stacking energy: -113.802
Base-Backbone interact. energy: -0.158
local terms energy: -112.686780
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -34.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -393.378632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.378632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.378632 (E_RNA)
where:
Base-Base interactions energy: -275.729
where: short stacking energy: -113.677
Base-Backbone interact. energy: -0.001
local terms energy: -117.648909
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -33.798
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: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -393.355342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.355342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.355342 (E_RNA)
where:
Base-Base interactions energy: -279.231
where: short stacking energy: -114.310
Base-Backbone interact. energy: -1.329
local terms energy: -112.795413
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -19.896
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -382.792324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.792324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.792324 (E_RNA)
where:
Base-Base interactions energy: -277.720
where: short stacking energy: -110.968
Base-Backbone interact. energy: -0.011
local terms energy: -105.062158
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -25.910
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -33.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -379.074046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.074046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.074046 (E_RNA)
where:
Base-Base interactions energy: -268.733
where: short stacking energy: -111.172
Base-Backbone interact. energy: -0.553
local terms energy: -109.787730
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -31.715
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: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -113.633730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.633730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.633730 (E_RNA)
where:
Base-Base interactions energy: -56.718
where: short stacking energy: -29.206
Base-Backbone interact. energy: -0.295
local terms energy: -56.620395
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: 3.215
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: 341
Temperature: 1.350000
Total energy: -104.924033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.924033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.924033 (E_RNA)
where:
Base-Base interactions energy: -32.202
where: short stacking energy: -32.031
Base-Backbone interact. energy: 2.201
local terms energy: -74.922590
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -420.713499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.713499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.713499 (E_RNA)
where:
Base-Base interactions energy: -298.172
where: short stacking energy: -124.165
Base-Backbone interact. energy: -0.003
local terms energy: -122.538506
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -37.595
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: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -411.805395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.805395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.805395 (E_RNA)
where:
Base-Base interactions energy: -282.636
where: short stacking energy: -105.898
Base-Backbone interact. energy: -0.658
local terms energy: -128.511039
where:
bonds (distance) C4'-P energy: -24.343
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -30.586
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: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -410.878548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.878548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.878548 (E_RNA)
where:
Base-Base interactions energy: -289.686
where: short stacking energy: -122.118
Base-Backbone interact. energy: -0.004
local terms energy: -121.188262
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -37.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -403.828187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.828187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.828187 (E_RNA)
where:
Base-Base interactions energy: -289.572
where: short stacking energy: -122.577
Base-Backbone interact. energy: -0.043
local terms energy: -114.212599
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -399.008610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.008610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.008610 (E_RNA)
where:
Base-Base interactions energy: -286.729
where: short stacking energy: -115.714
Base-Backbone interact. energy: 0.403
local terms energy: -112.682905
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -32.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -392.040124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.040124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.040124 (E_RNA)
where:
Base-Base interactions energy: -275.930
where: short stacking energy: -112.564
Base-Backbone interact. energy: -0.011
local terms energy: -116.099535
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -33.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -390.633304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.633304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.633304 (E_RNA)
where:
Base-Base interactions energy: -284.219
where: short stacking energy: -117.075
Base-Backbone interact. energy: 2.473
local terms energy: -108.887318
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -27.399
flat angles P-C4'-P energy: -19.444
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: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -382.954513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.954513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.954513 (E_RNA)
where:
Base-Base interactions energy: -273.106
where: short stacking energy: -107.771
Base-Backbone interact. energy: -0.311
local terms energy: -109.537566
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -32.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -116.438336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.438336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.438336 (E_RNA)
where:
Base-Base interactions energy: -40.023
where: short stacking energy: -38.389
Base-Backbone interact. energy: 0.361
local terms energy: -76.776676
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -16.263
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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -100.148698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.148698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.148698 (E_RNA)
where:
Base-Base interactions energy: -32.230
where: short stacking energy: -31.530
Base-Backbone interact. energy: 0.828
local terms energy: -68.746305
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -4.053
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: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -421.577181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.577181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.577181 (E_RNA)
where:
Base-Base interactions energy: -294.812
where: short stacking energy: -122.321
Base-Backbone interact. energy: -0.002
local terms energy: -126.763127
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -37.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -413.923197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.923197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.923197 (E_RNA)
where:
Base-Base interactions energy: -297.020
where: short stacking energy: -120.011
Base-Backbone interact. energy: -0.156
local terms energy: -116.746764
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -36.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -411.724264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.724264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.724264 (E_RNA)
where:
Base-Base interactions energy: -295.183
where: short stacking energy: -121.578
Base-Backbone interact. energy: -0.001
local terms energy: -116.540296
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -34.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -404.951210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.951210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.951210 (E_RNA)
where:
Base-Base interactions energy: -290.811
where: short stacking energy: -119.728
Base-Backbone interact. energy: -0.604
local terms energy: -113.536337
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -33.209
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: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -402.634029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.634029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.634029 (E_RNA)
where:
Base-Base interactions energy: -291.005
where: short stacking energy: -120.988
Base-Backbone interact. energy: -0.042
local terms energy: -111.586965
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -34.108
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: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -388.218245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.218245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.218245 (E_RNA)
where:
Base-Base interactions energy: -276.222
where: short stacking energy: -111.659
Base-Backbone interact. energy: -0.138
local terms energy: -111.858658
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -380.066901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.066901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.066901 (E_RNA)
where:
Base-Base interactions energy: -272.606
where: short stacking energy: -112.756
Base-Backbone interact. energy: -0.316
local terms energy: -107.144328
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -32.243
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: 343
Temperature: 1.250000
Total energy: -374.663517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.663517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.663517 (E_RNA)
where:
Base-Base interactions energy: -268.116
where: short stacking energy: -110.163
Base-Backbone interact. energy: -0.049
local terms energy: -106.498689
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -33.887
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: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -115.823690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.823690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.823690 (E_RNA)
where:
Base-Base interactions energy: -48.157
where: short stacking energy: -40.846
Base-Backbone interact. energy: -0.171
local terms energy: -67.496372
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -5.865
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -120.840662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.840662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.840662 (E_RNA)
where:
Base-Base interactions energy: -47.487
where: short stacking energy: -36.021
Base-Backbone interact. energy: -0.053
local terms energy: -73.301113
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -422.630731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.630731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.630731 (E_RNA)
where:
Base-Base interactions energy: -299.275
where: short stacking energy: -124.808
Base-Backbone interact. energy: -0.197
local terms energy: -123.158150
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -25.782
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -18.939
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -415.555234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.555234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.555234 (E_RNA)
where:
Base-Base interactions energy: -292.949
where: short stacking energy: -123.354
Base-Backbone interact. energy: -0.277
local terms energy: -122.328838
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -38.111
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: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -403.242234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.242234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.242234 (E_RNA)
where:
Base-Base interactions energy: -286.757
where: short stacking energy: -121.682
Base-Backbone interact. energy: -0.658
local terms energy: -115.827012
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -34.068
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: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -406.084025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.084025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.084025 (E_RNA)
where:
Base-Base interactions energy: -286.997
where: short stacking energy: -120.722
Base-Backbone interact. energy: -0.084
local terms energy: -119.003275
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -17.076
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: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -396.604562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.604562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.604562 (E_RNA)
where:
Base-Base interactions energy: -291.544
where: short stacking energy: -121.308
Base-Backbone interact. energy: -0.041
local terms energy: -105.019091
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -35.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -393.520247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.520247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.520247 (E_RNA)
where:
Base-Base interactions energy: -276.932
where: short stacking energy: -109.787
Base-Backbone interact. energy: -0.111
local terms energy: -116.476497
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -34.668
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: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -386.818881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.818881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.818881 (E_RNA)
where:
Base-Base interactions energy: -280.187
where: short stacking energy: -119.517
Base-Backbone interact. energy: -0.868
local terms energy: -105.763206
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -34.170
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: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -371.257231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.257231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.257231 (E_RNA)
where:
Base-Base interactions energy: -266.645
where: short stacking energy: -106.860
Base-Backbone interact. energy: -0.924
local terms energy: -103.688534
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -31.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -123.937759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.937759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.937759 (E_RNA)
where:
Base-Base interactions energy: -53.586
where: short stacking energy: -41.224
Base-Backbone interact. energy: -1.143
local terms energy: -69.208888
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -2.237
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: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -107.275801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.275801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.275801 (E_RNA)
where:
Base-Base interactions energy: -47.762
where: short stacking energy: -29.134
Base-Backbone interact. energy: 1.944
local terms energy: -61.458674
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -0.732
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: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -416.316609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.316609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.316609 (E_RNA)
where:
Base-Base interactions energy: -292.701
where: short stacking energy: -120.484
Base-Backbone interact. energy: -0.624
local terms energy: -122.991855
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -34.965
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: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -408.478353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.478353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.478353 (E_RNA)
where:
Base-Base interactions energy: -288.403
where: short stacking energy: -118.892
Base-Backbone interact. energy: -0.033
local terms energy: -120.042791
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -32.220
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: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -414.906717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.906717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.906717 (E_RNA)
where:
Base-Base interactions energy: -294.182
where: short stacking energy: -117.323
Base-Backbone interact. energy: -0.915
local terms energy: -119.809446
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -24.696
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -33.490
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -397.877299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.877299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.877299 (E_RNA)
where:
Base-Base interactions energy: -281.619
where: short stacking energy: -114.096
Base-Backbone interact. energy: -0.538
local terms energy: -115.719912
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -35.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -396.056084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.056084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.056084 (E_RNA)
where:
Base-Base interactions energy: -286.770
where: short stacking energy: -117.854
Base-Backbone interact. energy: -0.602
local terms energy: -108.684459
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -34.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -392.873837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.873837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.873837 (E_RNA)
where:
Base-Base interactions energy: -277.201
where: short stacking energy: -115.470
Base-Backbone interact. energy: -0.337
local terms energy: -115.335997
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -34.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -388.292759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.292759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.292759 (E_RNA)
where:
Base-Base interactions energy: -271.208
where: short stacking energy: -106.908
Base-Backbone interact. energy: -0.041
local terms energy: -117.043894
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -32.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -375.500620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.500620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.500620 (E_RNA)
where:
Base-Base interactions energy: -268.323
where: short stacking energy: -110.906
Base-Backbone interact. energy: -0.134
local terms energy: -107.043062
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -33.380
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: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -104.440710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.440710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.440710 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -28.200
Base-Backbone interact. energy: -0.399
local terms energy: -68.959567
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -1.473
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: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -113.661267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.661267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.661267 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -28.374
Base-Backbone interact. energy: -0.138
local terms energy: -69.764108
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -411.550896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.550896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.550896 (E_RNA)
where:
Base-Base interactions energy: -291.796
where: short stacking energy: -118.957
Base-Backbone interact. energy: -0.003
local terms energy: -119.752162
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -35.726
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: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -413.483703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.483703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.483703 (E_RNA)
where:
Base-Base interactions energy: -297.557
where: short stacking energy: -117.151
Base-Backbone interact. energy: -0.532
local terms energy: -115.395305
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -36.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -416.181905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.181905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.181905 (E_RNA)
where:
Base-Base interactions energy: -295.714
where: short stacking energy: -126.737
Base-Backbone interact. energy: -0.000
local terms energy: -120.467244
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -37.186
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: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -404.568722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.568722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.568722 (E_RNA)
where:
Base-Base interactions energy: -283.180
where: short stacking energy: -117.575
Base-Backbone interact. energy: -0.406
local terms energy: -120.982691
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -35.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -402.571447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.571447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.571447 (E_RNA)
where:
Base-Base interactions energy: -286.818
where: short stacking energy: -111.669
Base-Backbone interact. energy: -0.019
local terms energy: -115.735070
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -32.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -389.957229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.957229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.957229 (E_RNA)
where:
Base-Base interactions energy: -269.173
where: short stacking energy: -111.340
Base-Backbone interact. energy: -0.010
local terms energy: -120.773416
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -35.712
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: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -385.286584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.286584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.286584 (E_RNA)
where:
Base-Base interactions energy: -273.891
where: short stacking energy: -109.806
Base-Backbone interact. energy: -0.082
local terms energy: -111.314334
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -32.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -385.161892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.161892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.161892 (E_RNA)
where:
Base-Base interactions energy: -273.334
where: short stacking energy: -113.037
Base-Backbone interact. energy: -0.027
local terms energy: -111.801458
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -15.977
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -111.014790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.014790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.014790 (E_RNA)
where:
Base-Base interactions energy: -35.763
where: short stacking energy: -35.763
Base-Backbone interact. energy: 1.228
local terms energy: -76.480019
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -18.044
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: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -104.748067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.748067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.748067 (E_RNA)
where:
Base-Base interactions energy: -39.795
where: short stacking energy: -37.443
Base-Backbone interact. energy: -0.521
local terms energy: -64.432443
where:
bonds (distance) C4'-P energy: -22.837
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: 2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -421.569718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.569718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.569718 (E_RNA)
where:
Base-Base interactions energy: -295.985
where: short stacking energy: -128.524
Base-Backbone interact. energy: -0.309
local terms energy: -125.276465
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -35.952
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: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -409.840287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.840287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.840287 (E_RNA)
where:
Base-Base interactions energy: -297.682
where: short stacking energy: -124.077
Base-Backbone interact. energy: -0.005
local terms energy: -112.153357
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -35.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -413.484125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.484125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.484125 (E_RNA)
where:
Base-Base interactions energy: -295.403
where: short stacking energy: -121.884
Base-Backbone interact. energy: -0.150
local terms energy: -117.931798
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -36.256
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: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -402.933337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.933337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.933337 (E_RNA)
where:
Base-Base interactions energy: -283.589
where: short stacking energy: -116.337
Base-Backbone interact. energy: -0.006
local terms energy: -119.338527
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -36.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -401.336092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.336092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.336092 (E_RNA)
where:
Base-Base interactions energy: -279.079
where: short stacking energy: -117.897
Base-Backbone interact. energy: -0.595
local terms energy: -121.662662
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -33.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -401.613990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.613990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.613990 (E_RNA)
where:
Base-Base interactions energy: -285.472
where: short stacking energy: -121.292
Base-Backbone interact. energy: -0.000
local terms energy: -116.142064
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -24.252
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -35.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -386.858925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.858925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.858925 (E_RNA)
where:
Base-Base interactions energy: -275.918
where: short stacking energy: -114.272
Base-Backbone interact. energy: -0.526
local terms energy: -110.414815
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -35.687
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: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -384.960175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.960175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.960175 (E_RNA)
where:
Base-Base interactions energy: -271.937
where: short stacking energy: -112.094
Base-Backbone interact. energy: 0.150
local terms energy: -113.172409
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -34.610
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: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -117.842374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.842374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.842374 (E_RNA)
where:
Base-Base interactions energy: -42.467
where: short stacking energy: -32.485
Base-Backbone interact. energy: -0.263
local terms energy: -75.112432
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -100.616473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.616473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.616473 (E_RNA)
where:
Base-Base interactions energy: -41.426
where: short stacking energy: -20.195
Base-Backbone interact. energy: -0.719
local terms energy: -58.471723
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -4.995
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: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -416.061385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.061385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.061385 (E_RNA)
where:
Base-Base interactions energy: -294.131
where: short stacking energy: -121.241
Base-Backbone interact. energy: -0.288
local terms energy: -121.643026
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -33.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -417.496146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.496146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.496146 (E_RNA)
where:
Base-Base interactions energy: -294.591
where: short stacking energy: -119.085
Base-Backbone interact. energy: -0.171
local terms energy: -122.733945
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -18.462
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: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -414.739923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.739923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.739923 (E_RNA)
where:
Base-Base interactions energy: -293.520
where: short stacking energy: -123.416
Base-Backbone interact. energy: -0.001
local terms energy: -121.219152
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -35.995
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: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -401.086979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.086979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.086979 (E_RNA)
where:
Base-Base interactions energy: -289.743
where: short stacking energy: -113.017
Base-Backbone interact. energy: -0.040
local terms energy: -111.303891
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -34.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -400.157660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.157660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.157660 (E_RNA)
where:
Base-Base interactions energy: -289.519
where: short stacking energy: -119.668
Base-Backbone interact. energy: -0.139
local terms energy: -110.499553
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -35.845
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: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -393.459115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.459115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.459115 (E_RNA)
where:
Base-Base interactions energy: -275.012
where: short stacking energy: -108.268
Base-Backbone interact. energy: -1.138
local terms energy: -117.309424
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -33.827
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: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -390.901881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.901881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.901881 (E_RNA)
where:
Base-Base interactions energy: -275.295
where: short stacking energy: -107.349
Base-Backbone interact. energy: -0.522
local terms energy: -115.084169
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -35.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -383.996381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.996381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.996381 (E_RNA)
where:
Base-Base interactions energy: -275.953
where: short stacking energy: -112.922
Base-Backbone interact. energy: -0.048
local terms energy: -107.996079
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -31.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -131.254757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.254757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.254757 (E_RNA)
where:
Base-Base interactions energy: -59.888
where: short stacking energy: -48.175
Base-Backbone interact. energy: -0.344
local terms energy: -71.022499
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -9.673
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: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -118.928882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.928882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.928882 (E_RNA)
where:
Base-Base interactions energy: -49.420
where: short stacking energy: -27.287
Base-Backbone interact. energy: -1.096
local terms energy: -68.412636
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: 2.846
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: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -413.180893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.180893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.180893 (E_RNA)
where:
Base-Base interactions energy: -289.572
where: short stacking energy: -121.692
Base-Backbone interact. energy: -0.419
local terms energy: -123.189993
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -27.331
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -34.734
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: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -419.941557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.941557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.941557 (E_RNA)
where:
Base-Base interactions energy: -288.975
where: short stacking energy: -115.881
Base-Backbone interact. energy: -0.000
local terms energy: -130.966400
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -39.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -409.399928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.399928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.399928 (E_RNA)
where:
Base-Base interactions energy: -291.418
where: short stacking energy: -116.624
Base-Backbone interact. energy: -0.023
local terms energy: -117.958202
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -35.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -392.861917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.861917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.861917 (E_RNA)
where:
Base-Base interactions energy: -277.684
where: short stacking energy: -107.092
Base-Backbone interact. energy: -1.002
local terms energy: -114.176370
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -33.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -393.759585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.759585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.759585 (E_RNA)
where:
Base-Base interactions energy: -274.258
where: short stacking energy: -106.928
Base-Backbone interact. energy: -0.558
local terms energy: -118.944100
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -34.565
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: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -385.166559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.166559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.166559 (E_RNA)
where:
Base-Base interactions energy: -267.132
where: short stacking energy: -104.864
Base-Backbone interact. energy: -1.229
local terms energy: -116.805857
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -30.596
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: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -390.000292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.000292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.000292 (E_RNA)
where:
Base-Base interactions energy: -275.997
where: short stacking energy: -104.776
Base-Backbone interact. energy: -0.802
local terms energy: -113.201277
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -30.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -386.238248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.238248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.238248 (E_RNA)
where:
Base-Base interactions energy: -274.918
where: short stacking energy: -119.153
Base-Backbone interact. energy: 0.389
local terms energy: -111.709403
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -34.820
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: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -121.095709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.095709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.095709 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -28.054
Base-Backbone interact. energy: -0.679
local terms energy: -72.974673
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -103.578141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.578141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.578141 (E_RNA)
where:
Base-Base interactions energy: -43.696
where: short stacking energy: -26.366
Base-Backbone interact. energy: -0.907
local terms energy: -58.975689
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: 3.788
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: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -421.955272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.955272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.955272 (E_RNA)
where:
Base-Base interactions energy: -294.558
where: short stacking energy: -116.705
Base-Backbone interact. energy: -0.052
local terms energy: -127.345154
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -37.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -416.585205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.585205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.585205 (E_RNA)
where:
Base-Base interactions energy: -296.580
where: short stacking energy: -123.901
Base-Backbone interact. energy: -0.048
local terms energy: -119.956779
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -15.506
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: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -404.460272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.460272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.460272 (E_RNA)
where:
Base-Base interactions energy: -282.120
where: short stacking energy: -116.217
Base-Backbone interact. energy: -0.001
local terms energy: -122.338922
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -38.376
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: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -396.906859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.906859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.906859 (E_RNA)
where:
Base-Base interactions energy: -280.040
where: short stacking energy: -108.986
Base-Backbone interact. energy: -1.255
local terms energy: -115.611491
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -22.941
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -16.283
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: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -395.846067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.846067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.846067 (E_RNA)
where:
Base-Base interactions energy: -282.787
where: short stacking energy: -117.059
Base-Backbone interact. energy: -0.323
local terms energy: -112.736189
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -17.711
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: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -387.539096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.539096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.539096 (E_RNA)
where:
Base-Base interactions energy: -275.092
where: short stacking energy: -114.271
Base-Backbone interact. energy: -0.001
local terms energy: -112.445979
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -395.001279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.001279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.001279 (E_RNA)
where:
Base-Base interactions energy: -274.922
where: short stacking energy: -112.625
Base-Backbone interact. energy: -0.981
local terms energy: -119.098434
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -36.153
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: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -354.712862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.712862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.712862 (E_RNA)
where:
Base-Base interactions energy: -254.129
where: short stacking energy: -97.653
Base-Backbone interact. energy: -0.471
local terms energy: -100.112785
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -28.561
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: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -114.972055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.972055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.972055 (E_RNA)
where:
Base-Base interactions energy: -42.449
where: short stacking energy: -42.449
Base-Backbone interact. energy: -0.164
local terms energy: -72.358898
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -98.897864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.897864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.897864 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -32.763
Base-Backbone interact. energy: -0.195
local terms energy: -61.139835
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -2.354
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: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -420.968225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.968225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.968225 (E_RNA)
where:
Base-Base interactions energy: -298.946
where: short stacking energy: -128.331
Base-Backbone interact. energy: -0.579
local terms energy: -121.442994
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -35.867
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: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -416.495186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.495186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.495186 (E_RNA)
where:
Base-Base interactions energy: -295.174
where: short stacking energy: -123.003
Base-Backbone interact. energy: -0.486
local terms energy: -120.835988
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -19.663
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: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -409.407849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.407849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.407849 (E_RNA)
where:
Base-Base interactions energy: -289.638
where: short stacking energy: -120.818
Base-Backbone interact. energy: -0.259
local terms energy: -119.510279
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -35.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -407.686326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.686326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.686326 (E_RNA)
where:
Base-Base interactions energy: -285.253
where: short stacking energy: -118.723
Base-Backbone interact. energy: -0.223
local terms energy: -122.210179
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -27.612
flat angles P-C4'-P energy: -15.931
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: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -392.849515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.849515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.849515 (E_RNA)
where:
Base-Base interactions energy: -283.842
where: short stacking energy: -119.629
Base-Backbone interact. energy: -0.012
local terms energy: -108.995878
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -35.753
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: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -395.929194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.929194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.929194 (E_RNA)
where:
Base-Base interactions energy: -278.438
where: short stacking energy: -118.259
Base-Backbone interact. energy: -0.153
local terms energy: -117.338365
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -34.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -389.095183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.095183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.095183 (E_RNA)
where:
Base-Base interactions energy: -273.887
where: short stacking energy: -110.330
Base-Backbone interact. energy: -0.078
local terms energy: -115.129774
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -33.325
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: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -355.932636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.932636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.932636 (E_RNA)
where:
Base-Base interactions energy: -250.385
where: short stacking energy: -103.503
Base-Backbone interact. energy: -0.325
local terms energy: -105.222591
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -30.386
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: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -130.463108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.463108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.463108 (E_RNA)
where:
Base-Base interactions energy: -56.462
where: short stacking energy: -37.179
Base-Backbone interact. energy: -0.116
local terms energy: -73.885397
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -105.357386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.357386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.357386 (E_RNA)
where:
Base-Base interactions energy: -42.243
where: short stacking energy: -34.325
Base-Backbone interact. energy: 2.041
local terms energy: -65.156212
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -2.331
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: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -420.142612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.142612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.142612 (E_RNA)
where:
Base-Base interactions energy: -297.077
where: short stacking energy: -119.941
Base-Backbone interact. energy: -0.203
local terms energy: -122.862294
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -32.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -416.546043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.546043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.546043 (E_RNA)
where:
Base-Base interactions energy: -290.119
where: short stacking energy: -123.662
Base-Backbone interact. energy: 0.772
local terms energy: -127.198698
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -35.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -411.561780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.561780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.561780 (E_RNA)
where:
Base-Base interactions energy: -286.507
where: short stacking energy: -120.593
Base-Backbone interact. energy: -0.314
local terms energy: -124.740889
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -18.118
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: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -414.347241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.347241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.347241 (E_RNA)
where:
Base-Base interactions energy: -293.019
where: short stacking energy: -125.184
Base-Backbone interact. energy: -0.477
local terms energy: -120.851329
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -34.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -401.932805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.932805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.932805 (E_RNA)
where:
Base-Base interactions energy: -283.652
where: short stacking energy: -116.821
Base-Backbone interact. energy: -0.010
local terms energy: -118.271270
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -35.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -390.371255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.371255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.371255 (E_RNA)
where:
Base-Base interactions energy: -278.094
where: short stacking energy: -110.873
Base-Backbone interact. energy: 0.890
local terms energy: -113.166994
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -34.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -394.090914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.090914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.090914 (E_RNA)
where:
Base-Base interactions energy: -278.539
where: short stacking energy: -116.645
Base-Backbone interact. energy: -0.025
local terms energy: -115.527317
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -19.762
tors. eta vs tors. theta energy: -34.530
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: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -378.697474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.697474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.697474 (E_RNA)
where:
Base-Base interactions energy: -267.877
where: short stacking energy: -112.648
Base-Backbone interact. energy: -0.673
local terms energy: -110.146912
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -32.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -121.886033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.886033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.886033 (E_RNA)
where:
Base-Base interactions energy: -54.021
where: short stacking energy: -30.161
Base-Backbone interact. energy: 0.157
local terms energy: -68.021783
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -93.493330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.493330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.493330 (E_RNA)
where:
Base-Base interactions energy: -26.018
where: short stacking energy: -24.838
Base-Backbone interact. energy: 1.676
local terms energy: -69.150805
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: 6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -432.614977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.614977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.614977 (E_RNA)
where:
Base-Base interactions energy: -307.189
where: short stacking energy: -129.951
Base-Backbone interact. energy: -0.291
local terms energy: -125.135730
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -36.648
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: 353
Temperature: 0.950000
Total energy: -414.887151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.887151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.887151 (E_RNA)
where:
Base-Base interactions energy: -297.658
where: short stacking energy: -117.514
Base-Backbone interact. energy: -0.590
local terms energy: -116.639571
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -33.228
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: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -405.698460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.698460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.698460 (E_RNA)
where:
Base-Base interactions energy: -290.406
where: short stacking energy: -115.654
Base-Backbone interact. energy: -0.001
local terms energy: -115.291598
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -32.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -393.392314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.392314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.392314 (E_RNA)
where:
Base-Base interactions energy: -280.738
where: short stacking energy: -110.392
Base-Backbone interact. energy: -0.109
local terms energy: -112.544851
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -15.870
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: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -405.773676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.773676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.773676 (E_RNA)
where:
Base-Base interactions energy: -277.038
where: short stacking energy: -110.786
Base-Backbone interact. energy: -0.330
local terms energy: -128.405379
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -25.614
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -33.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -388.265583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.265583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.265583 (E_RNA)
where:
Base-Base interactions energy: -283.081
where: short stacking energy: -109.490
Base-Backbone interact. energy: -0.068
local terms energy: -105.116868
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -32.481
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: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -390.516872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.516872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.516872 (E_RNA)
where:
Base-Base interactions energy: -281.873
where: short stacking energy: -118.633
Base-Backbone interact. energy: -0.320
local terms energy: -108.324151
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -36.530
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: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -377.875119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.875119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.875119 (E_RNA)
where:
Base-Base interactions energy: -280.069
where: short stacking energy: -117.942
Base-Backbone interact. energy: -0.037
local terms energy: -97.769589
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -31.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -131.835861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.835861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.835861 (E_RNA)
where:
Base-Base interactions energy: -57.520
where: short stacking energy: -53.961
Base-Backbone interact. energy: -0.264
local terms energy: -74.051702
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -13.658
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: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -111.884099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.884099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.884099 (E_RNA)
where:
Base-Base interactions energy: -35.033
where: short stacking energy: -34.385
Base-Backbone interact. energy: -1.003
local terms energy: -75.848025
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -423.181495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.181495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.181495 (E_RNA)
where:
Base-Base interactions energy: -294.888
where: short stacking energy: -119.209
Base-Backbone interact. energy: -0.001
local terms energy: -128.292560
where:
bonds (distance) C4'-P energy: -25.780
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -35.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -413.860714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.860714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.860714 (E_RNA)
where:
Base-Base interactions energy: -291.595
where: short stacking energy: -120.100
Base-Backbone interact. energy: -0.001
local terms energy: -122.264682
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -36.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -407.764512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.764512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.764512 (E_RNA)
where:
Base-Base interactions energy: -286.313
where: short stacking energy: -121.393
Base-Backbone interact. energy: -0.587
local terms energy: -120.864803
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -410.848322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.848322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.848322 (E_RNA)
where:
Base-Base interactions energy: -288.304
where: short stacking energy: -121.768
Base-Backbone interact. energy: -0.006
local terms energy: -122.539087
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -37.204
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: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -395.995670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.995670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.995670 (E_RNA)
where:
Base-Base interactions energy: -279.084
where: short stacking energy: -114.558
Base-Backbone interact. energy: -0.187
local terms energy: -116.723837
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -33.056
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: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -393.217912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.217912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.217912 (E_RNA)
where:
Base-Base interactions energy: -270.959
where: short stacking energy: -113.673
Base-Backbone interact. energy: -0.094
local terms energy: -122.164940
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -35.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -385.824567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.824567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.824567 (E_RNA)
where:
Base-Base interactions energy: -275.082
where: short stacking energy: -115.951
Base-Backbone interact. energy: -0.486
local terms energy: -110.256177
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -35.387
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: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -372.247892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.247892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.247892 (E_RNA)
where:
Base-Base interactions energy: -269.978
where: short stacking energy: -108.461
Base-Backbone interact. energy: -0.315
local terms energy: -101.954661
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -29.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -104.886140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.886140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.886140 (E_RNA)
where:
Base-Base interactions energy: -41.894
where: short stacking energy: -28.798
Base-Backbone interact. energy: -0.549
local terms energy: -62.443085
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -106.993995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.993995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.993995 (E_RNA)
where:
Base-Base interactions energy: -38.606
where: short stacking energy: -35.821
Base-Backbone interact. energy: -0.390
local terms energy: -67.997905
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: 3.006
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -417.431424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.431424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.431424 (E_RNA)
where:
Base-Base interactions energy: -294.368
where: short stacking energy: -119.343
Base-Backbone interact. energy: -0.163
local terms energy: -122.901137
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -34.455
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: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -413.842487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.842487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.842487 (E_RNA)
where:
Base-Base interactions energy: -291.811
where: short stacking energy: -116.201
Base-Backbone interact. energy: -0.456
local terms energy: -121.574875
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -34.911
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: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -406.041513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.041513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.041513 (E_RNA)
where:
Base-Base interactions energy: -289.807
where: short stacking energy: -125.465
Base-Backbone interact. energy: -0.593
local terms energy: -115.641706
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -400.368059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.368059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.368059 (E_RNA)
where:
Base-Base interactions energy: -285.744
where: short stacking energy: -116.479
Base-Backbone interact. energy: -0.011
local terms energy: -114.612463
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -37.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -397.186548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.186548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.186548 (E_RNA)
where:
Base-Base interactions energy: -287.334
where: short stacking energy: -116.576
Base-Backbone interact. energy: -0.011
local terms energy: -109.841596
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -9.323
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: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -391.900754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.900754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.900754 (E_RNA)
where:
Base-Base interactions energy: -281.917
where: short stacking energy: -112.258
Base-Backbone interact. energy: -0.247
local terms energy: -109.737257
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -14.170
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: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -393.343987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.343987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.343987 (E_RNA)
where:
Base-Base interactions energy: -276.583
where: short stacking energy: -107.707
Base-Backbone interact. energy: -0.137
local terms energy: -116.623966
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -33.140
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: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -390.914958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.914958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.914958 (E_RNA)
where:
Base-Base interactions energy: -281.023
where: short stacking energy: -117.244
Base-Backbone interact. energy: -0.002
local terms energy: -109.890232
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -33.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -133.748494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.748494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.748494 (E_RNA)
where:
Base-Base interactions energy: -59.758
where: short stacking energy: -43.306
Base-Backbone interact. energy: -0.256
local terms energy: -73.733864
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -10.081
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: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -99.367470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.367470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.367470 (E_RNA)
where:
Base-Base interactions energy: -33.162
where: short stacking energy: -33.162
Base-Backbone interact. energy: 0.757
local terms energy: -66.961678
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: 0.354
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: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -422.768970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.768970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.768970 (E_RNA)
where:
Base-Base interactions energy: -300.041
where: short stacking energy: -126.189
Base-Backbone interact. energy: -0.722
local terms energy: -122.006380
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -35.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -418.890065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.890065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.890065 (E_RNA)
where:
Base-Base interactions energy: -292.975
where: short stacking energy: -124.625
Base-Backbone interact. energy: -0.123
local terms energy: -125.791944
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -37.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -406.814965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.814965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.814965 (E_RNA)
where:
Base-Base interactions energy: -287.517
where: short stacking energy: -121.098
Base-Backbone interact. energy: -0.017
local terms energy: -119.280421
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -33.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -406.521029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.521029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.521029 (E_RNA)
where:
Base-Base interactions energy: -286.464
where: short stacking energy: -114.957
Base-Backbone interact. energy: 0.135
local terms energy: -120.192933
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -34.808
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: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -398.592416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.592416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.592416 (E_RNA)
where:
Base-Base interactions energy: -289.089
where: short stacking energy: -115.139
Base-Backbone interact. energy: -0.007
local terms energy: -109.496557
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -33.018
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: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -392.020132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.020132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.020132 (E_RNA)
where:
Base-Base interactions energy: -269.533
where: short stacking energy: -105.810
Base-Backbone interact. energy: -0.668
local terms energy: -121.819543
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -35.444
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: 356
Temperature: 1.200000
Total energy: -402.285375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.285375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.285375 (E_RNA)
where:
Base-Base interactions energy: -282.142
where: short stacking energy: -114.715
Base-Backbone interact. energy: -0.675
local terms energy: -119.468216
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -33.779
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: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -380.343497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.343497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.343497 (E_RNA)
where:
Base-Base interactions energy: -271.943
where: short stacking energy: -111.278
Base-Backbone interact. energy: -0.267
local terms energy: -108.133665
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -35.021
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: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -106.424757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.424757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.424757 (E_RNA)
where:
Base-Base interactions energy: -43.019
where: short stacking energy: -41.685
Base-Backbone interact. energy: 1.097
local terms energy: -64.502278
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -7.109
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: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -107.074273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.074273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.074273 (E_RNA)
where:
Base-Base interactions energy: -44.311
where: short stacking energy: -24.671
Base-Backbone interact. energy: -0.014
local terms energy: -62.748812
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -420.539756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.539756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.539756 (E_RNA)
where:
Base-Base interactions energy: -296.585
where: short stacking energy: -121.877
Base-Backbone interact. energy: -0.014
local terms energy: -123.940513
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -36.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -419.782129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.782129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.782129 (E_RNA)
where:
Base-Base interactions energy: -299.905
where: short stacking energy: -124.388
Base-Backbone interact. energy: -0.002
local terms energy: -119.874405
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -37.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -410.251735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.251735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.251735 (E_RNA)
where:
Base-Base interactions energy: -293.788
where: short stacking energy: -116.867
Base-Backbone interact. energy: 1.032
local terms energy: -117.496387
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -402.727450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.727450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.727450 (E_RNA)
where:
Base-Base interactions energy: -280.596
where: short stacking energy: -120.538
Base-Backbone interact. energy: -0.510
local terms energy: -121.621454
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -35.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -415.724832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.724832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.724832 (E_RNA)
where:
Base-Base interactions energy: -296.472
where: short stacking energy: -124.214
Base-Backbone interact. energy: -0.004
local terms energy: -119.249281
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -36.180
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: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -393.551091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.551091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.551091 (E_RNA)
where:
Base-Base interactions energy: -284.801
where: short stacking energy: -116.728
Base-Backbone interact. energy: -0.034
local terms energy: -108.716850
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -34.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -382.629868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.629868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.629868 (E_RNA)
where:
Base-Base interactions energy: -280.927
where: short stacking energy: -108.956
Base-Backbone interact. energy: -0.087
local terms energy: -101.616368
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -383.463174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.463174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.463174 (E_RNA)
where:
Base-Base interactions energy: -279.873
where: short stacking energy: -116.183
Base-Backbone interact. energy: -0.036
local terms energy: -103.554343
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -31.920
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: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -107.018182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.018182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.018182 (E_RNA)
where:
Base-Base interactions energy: -44.669
where: short stacking energy: -43.863
Base-Backbone interact. energy: -0.235
local terms energy: -62.114268
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -119.649184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.649184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.649184 (E_RNA)
where:
Base-Base interactions energy: -57.298
where: short stacking energy: -33.268
Base-Backbone interact. energy: 5.909
local terms energy: -68.259276
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -420.882112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.882112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.882112 (E_RNA)
where:
Base-Base interactions energy: -292.264
where: short stacking energy: -124.450
Base-Backbone interact. energy: -0.001
local terms energy: -128.617727
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -37.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -420.844220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.844220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.844220 (E_RNA)
where:
Base-Base interactions energy: -297.798
where: short stacking energy: -125.944
Base-Backbone interact. energy: -0.842
local terms energy: -122.203619
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -35.538
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: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -406.958675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.958675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.958675 (E_RNA)
where:
Base-Base interactions energy: -286.724
where: short stacking energy: -122.024
Base-Backbone interact. energy: -0.002
local terms energy: -120.232167
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -35.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -393.137694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.137694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.137694 (E_RNA)
where:
Base-Base interactions energy: -286.329
where: short stacking energy: -114.094
Base-Backbone interact. energy: -0.063
local terms energy: -106.745865
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -15.640
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: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -399.327670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.327670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.327670 (E_RNA)
where:
Base-Base interactions energy: -277.259
where: short stacking energy: -113.131
Base-Backbone interact. energy: -0.295
local terms energy: -121.773496
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -38.301
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: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -395.880719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.880719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.880719 (E_RNA)
where:
Base-Base interactions energy: -274.933
where: short stacking energy: -111.717
Base-Backbone interact. energy: -1.527
local terms energy: -119.421236
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -33.484
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: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -393.392023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.392023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.392023 (E_RNA)
where:
Base-Base interactions energy: -284.971
where: short stacking energy: -121.520
Base-Backbone interact. energy: -0.004
local terms energy: -108.417664
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -35.032
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: 358
Temperature: 1.250000
Total energy: -372.428999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.428999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.428999 (E_RNA)
where:
Base-Base interactions energy: -268.791
where: short stacking energy: -109.680
Base-Backbone interact. energy: -0.184
local terms energy: -103.453767
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -34.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -131.523986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.523986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.523986 (E_RNA)
where:
Base-Base interactions energy: -55.633
where: short stacking energy: -51.191
Base-Backbone interact. energy: 0.565
local terms energy: -76.455468
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -15.920
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: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -108.317746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.317746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.317746 (E_RNA)
where:
Base-Base interactions energy: -42.936
where: short stacking energy: -25.468
Base-Backbone interact. energy: -1.319
local terms energy: -64.062573
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -6.453
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: 359
Temperature: 0.900000
Total energy: -417.277527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.277527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.277527 (E_RNA)
where:
Base-Base interactions energy: -287.620
where: short stacking energy: -119.434
Base-Backbone interact. energy: -0.061
local terms energy: -129.597088
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -25.547
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -37.621
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: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -406.358826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.358826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.358826 (E_RNA)
where:
Base-Base interactions energy: -289.639
where: short stacking energy: -121.603
Base-Backbone interact. energy: -0.158
local terms energy: -116.561248
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -32.880
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: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -412.741200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.741200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.741200 (E_RNA)
where:
Base-Base interactions energy: -289.604
where: short stacking energy: -121.089
Base-Backbone interact. energy: -0.001
local terms energy: -123.137163
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -36.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -414.479352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.479352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.479352 (E_RNA)
where:
Base-Base interactions energy: -289.236
where: short stacking energy: -118.929
Base-Backbone interact. energy: -0.008
local terms energy: -125.236127
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -35.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -394.365503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.365503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.365503 (E_RNA)
where:
Base-Base interactions energy: -273.033
where: short stacking energy: -103.860
Base-Backbone interact. energy: -0.246
local terms energy: -121.086677
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -31.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -388.502751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.502751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.502751 (E_RNA)
where:
Base-Base interactions energy: -267.604
where: short stacking energy: -108.081
Base-Backbone interact. energy: -0.026
local terms energy: -120.872992
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -34.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -390.933556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.933556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.933556 (E_RNA)
where:
Base-Base interactions energy: -275.960
where: short stacking energy: -112.877
Base-Backbone interact. energy: -0.642
local terms energy: -114.332051
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -14.632
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: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -382.700048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.700048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.700048 (E_RNA)
where:
Base-Base interactions energy: -282.499
where: short stacking energy: -115.669
Base-Backbone interact. energy: -0.014
local terms energy: -100.187215
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -34.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -147.903972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.903972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.903972 (E_RNA)
where:
Base-Base interactions energy: -85.131
where: short stacking energy: -42.564
Base-Backbone interact. energy: -0.338
local terms energy: -62.434400
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -0.729
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: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -124.494397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.494397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.494397 (E_RNA)
where:
Base-Base interactions energy: -51.638
where: short stacking energy: -39.493
Base-Backbone interact. energy: -0.173
local terms energy: -72.684075
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -14.738
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: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -418.406816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.406816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.406816 (E_RNA)
where:
Base-Base interactions energy: -299.984
where: short stacking energy: -123.580
Base-Backbone interact. energy: -0.049
local terms energy: -118.373719
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -35.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -415.642633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.642633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.642633 (E_RNA)
where:
Base-Base interactions energy: -292.590
where: short stacking energy: -119.635
Base-Backbone interact. energy: -0.058
local terms energy: -122.994267
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -35.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -409.620710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.620710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.620710 (E_RNA)
where:
Base-Base interactions energy: -301.097
where: short stacking energy: -125.616
Base-Backbone interact. energy: -0.004
local terms energy: -108.520354
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -33.407
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: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -402.971747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.971747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.971747 (E_RNA)
where:
Base-Base interactions energy: -280.611
where: short stacking energy: -114.468
Base-Backbone interact. energy: -0.160
local terms energy: -122.200634
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -35.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -402.361186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.361186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.361186 (E_RNA)
where:
Base-Base interactions energy: -288.735
where: short stacking energy: -121.128
Base-Backbone interact. energy: -0.142
local terms energy: -113.483392
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -14.855
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: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -383.782069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.782069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.782069 (E_RNA)
where:
Base-Base interactions energy: -285.484
where: short stacking energy: -115.359
Base-Backbone interact. energy: -0.306
local terms energy: -97.992351
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -34.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -387.525722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.525722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.525722 (E_RNA)
where:
Base-Base interactions energy: -279.195
where: short stacking energy: -110.760
Base-Backbone interact. energy: -0.042
local terms energy: -108.288771
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -34.700
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: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -369.622203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.622203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.622203 (E_RNA)
where:
Base-Base interactions energy: -265.246
where: short stacking energy: -109.758
Base-Backbone interact. energy: -0.656
local terms energy: -103.720155
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -34.289
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: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -113.689672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.689672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.689672 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -34.851
Base-Backbone interact. energy: -0.039
local terms energy: -73.861572
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: 1.393
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: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -105.175810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.175810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.175810 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.269
local terms energy: -72.023951
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -2.711
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: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -421.175292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.175292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.175292 (E_RNA)
where:
Base-Base interactions energy: -300.562
where: short stacking energy: -125.868
Base-Backbone interact. energy: -0.144
local terms energy: -120.468503
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -35.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -412.631448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.631448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.631448 (E_RNA)
where:
Base-Base interactions energy: -291.133
where: short stacking energy: -120.182
Base-Backbone interact. energy: -0.001
local terms energy: -121.497134
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -16.481
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: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -410.792050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.792050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.792050 (E_RNA)
where:
Base-Base interactions energy: -289.189
where: short stacking energy: -118.430
Base-Backbone interact. energy: 0.524
local terms energy: -122.126859
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -36.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -404.752002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.752002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.752002 (E_RNA)
where:
Base-Base interactions energy: -283.952
where: short stacking energy: -117.397
Base-Backbone interact. energy: -0.002
local terms energy: -120.798016
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -37.917
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: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -396.835383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.835383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.835383 (E_RNA)
where:
Base-Base interactions energy: -278.281
where: short stacking energy: -116.822
Base-Backbone interact. energy: 0.971
local terms energy: -119.524773
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -35.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -397.627244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.627244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.627244 (E_RNA)
where:
Base-Base interactions energy: -287.174
where: short stacking energy: -114.743
Base-Backbone interact. energy: -0.569
local terms energy: -109.884196
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -35.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -381.637288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.637288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.637288 (E_RNA)
where:
Base-Base interactions energy: -264.688
where: short stacking energy: -102.554
Base-Backbone interact. energy: -0.221
local terms energy: -116.727784
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -34.687
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: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -380.230556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.230556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.230556 (E_RNA)
where:
Base-Base interactions energy: -272.638
where: short stacking energy: -110.937
Base-Backbone interact. energy: -0.729
local terms energy: -106.863668
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -32.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -111.604363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.604363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.604363 (E_RNA)
where:
Base-Base interactions energy: -35.589
where: short stacking energy: -27.583
Base-Backbone interact. energy: -0.438
local terms energy: -75.577111
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -119.434784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.434784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.434784 (E_RNA)
where:
Base-Base interactions energy: -55.271
where: short stacking energy: -30.668
Base-Backbone interact. energy: -0.425
local terms energy: -63.738627
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: 1.826
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: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -416.883710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.883710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.883710 (E_RNA)
where:
Base-Base interactions energy: -290.336
where: short stacking energy: -116.666
Base-Backbone interact. energy: -0.000
local terms energy: -126.547828
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -35.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -414.175402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.175402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.175402 (E_RNA)
where:
Base-Base interactions energy: -295.497
where: short stacking energy: -122.209
Base-Backbone interact. energy: -0.781
local terms energy: -117.896672
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -26.000
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -35.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -411.261811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.261811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.261811 (E_RNA)
where:
Base-Base interactions energy: -285.505
where: short stacking energy: -123.316
Base-Backbone interact. energy: -0.001
local terms energy: -125.755917
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -37.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -406.500087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.500087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.500087 (E_RNA)
where:
Base-Base interactions energy: -296.948
where: short stacking energy: -119.522
Base-Backbone interact. energy: -0.226
local terms energy: -109.326214
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -33.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -404.336392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.336392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.336392 (E_RNA)
where:
Base-Base interactions energy: -286.606
where: short stacking energy: -121.340
Base-Backbone interact. energy: -0.125
local terms energy: -117.605046
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -36.037
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: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -391.474296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.474296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.474296 (E_RNA)
where:
Base-Base interactions energy: -275.070
where: short stacking energy: -119.061
Base-Backbone interact. energy: -0.001
local terms energy: -116.403855
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -34.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -390.215243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.215243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.215243 (E_RNA)
where:
Base-Base interactions energy: -278.600
where: short stacking energy: -114.508
Base-Backbone interact. energy: -0.019
local terms energy: -111.596978
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -34.685
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: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -382.353627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.353627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.353627 (E_RNA)
where:
Base-Base interactions energy: -274.060
where: short stacking energy: -106.071
Base-Backbone interact. energy: -0.009
local terms energy: -108.284425
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -30.956
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: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -114.775475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.775475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.775475 (E_RNA)
where:
Base-Base interactions energy: -44.769
where: short stacking energy: -41.579
Base-Backbone interact. energy: -0.225
local terms energy: -69.780530
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -2.758
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: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -112.139472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.139472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.139472 (E_RNA)
where:
Base-Base interactions energy: -39.870
where: short stacking energy: -22.579
Base-Backbone interact. energy: -0.349
local terms energy: -71.919827
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -418.753126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.753126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.753126 (E_RNA)
where:
Base-Base interactions energy: -300.802
where: short stacking energy: -127.924
Base-Backbone interact. energy: -0.059
local terms energy: -117.891899
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -36.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -414.546075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.546075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.546075 (E_RNA)
where:
Base-Base interactions energy: -293.679
where: short stacking energy: -123.010
Base-Backbone interact. energy: -0.123
local terms energy: -120.743509
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -34.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -409.502633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.502633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.502633 (E_RNA)
where:
Base-Base interactions energy: -284.522
where: short stacking energy: -118.885
Base-Backbone interact. energy: -0.002
local terms energy: -124.978110
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -25.840
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -35.980
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: 363
Temperature: 1.050000
Total energy: -412.240790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.240790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.240790 (E_RNA)
where:
Base-Base interactions energy: -285.675
where: short stacking energy: -117.938
Base-Backbone interact. energy: -0.062
local terms energy: -126.503937
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -37.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -399.383508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.383508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.383508 (E_RNA)
where:
Base-Base interactions energy: -281.753
where: short stacking energy: -110.192
Base-Backbone interact. energy: -0.006
local terms energy: -117.624322
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -30.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -394.371061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.371061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.371061 (E_RNA)
where:
Base-Base interactions energy: -278.849
where: short stacking energy: -109.987
Base-Backbone interact. energy: -0.091
local terms energy: -115.430685
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -34.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -388.301236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.301236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.301236 (E_RNA)
where:
Base-Base interactions energy: -276.336
where: short stacking energy: -111.841
Base-Backbone interact. energy: -0.580
local terms energy: -111.385350
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -27.278
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -34.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -381.701044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.701044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.701044 (E_RNA)
where:
Base-Base interactions energy: -267.605
where: short stacking energy: -106.012
Base-Backbone interact. energy: -0.283
local terms energy: -113.812993
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -124.246870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.246870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.246870 (E_RNA)
where:
Base-Base interactions energy: -44.757
where: short stacking energy: -43.391
Base-Backbone interact. energy: -0.130
local terms energy: -79.359707
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -102.022141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.022141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.022141 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -33.709
Base-Backbone interact. energy: 0.384
local terms energy: -64.901142
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -418.960167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.960167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.960167 (E_RNA)
where:
Base-Base interactions energy: -294.397
where: short stacking energy: -122.864
Base-Backbone interact. energy: -0.433
local terms energy: -124.130040
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -21.573
tors. eta vs tors. theta energy: -35.031
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: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -423.789801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.789801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.789801 (E_RNA)
where:
Base-Base interactions energy: -296.490
where: short stacking energy: -125.989
Base-Backbone interact. energy: -0.075
local terms energy: -127.224214
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -18.136
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -418.955151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.955151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.955151 (E_RNA)
where:
Base-Base interactions energy: -293.653
where: short stacking energy: -117.154
Base-Backbone interact. energy: -0.794
local terms energy: -124.508565
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -34.917
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: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -412.886962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.886962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.886962 (E_RNA)
where:
Base-Base interactions energy: -301.082
where: short stacking energy: -125.826
Base-Backbone interact. energy: -0.004
local terms energy: -111.800875
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -37.378
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: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -395.159558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.159558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.159558 (E_RNA)
where:
Base-Base interactions energy: -284.621
where: short stacking energy: -112.488
Base-Backbone interact. energy: -0.005
local terms energy: -110.533266
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -32.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -387.173997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.173997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.173997 (E_RNA)
where:
Base-Base interactions energy: -278.259
where: short stacking energy: -114.694
Base-Backbone interact. energy: -0.163
local terms energy: -108.751833
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -32.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -373.876051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.876051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.876051 (E_RNA)
where:
Base-Base interactions energy: -277.044
where: short stacking energy: -112.900
Base-Backbone interact. energy: -0.088
local terms energy: -96.744078
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -29.730
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: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -376.792427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.792427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.792427 (E_RNA)
where:
Base-Base interactions energy: -273.477
where: short stacking energy: -112.080
Base-Backbone interact. energy: -0.012
local terms energy: -103.303365
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -34.493
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: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -113.709529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.709529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.709529 (E_RNA)
where:
Base-Base interactions energy: -56.922
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.369
local terms energy: -56.418695
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: 3.321
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: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -111.961787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.961787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.961787 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -20.870
Base-Backbone interact. energy: 1.259
local terms energy: -73.258902
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -1.572
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: 365
Temperature: 0.900000
Total energy: -426.542481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.542481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.542481 (E_RNA)
where:
Base-Base interactions energy: -302.703
where: short stacking energy: -124.129
Base-Backbone interact. energy: -0.212
local terms energy: -123.627165
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -27.155
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -36.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -416.199274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.199274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.199274 (E_RNA)
where:
Base-Base interactions energy: -293.302
where: short stacking energy: -120.123
Base-Backbone interact. energy: -0.004
local terms energy: -122.892646
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -37.748
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: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -407.819367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.819367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.819367 (E_RNA)
where:
Base-Base interactions energy: -287.709
where: short stacking energy: -120.178
Base-Backbone interact. energy: -0.285
local terms energy: -119.825195
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -34.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -399.808233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.808233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.808233 (E_RNA)
where:
Base-Base interactions energy: -286.423
where: short stacking energy: -113.744
Base-Backbone interact. energy: 0.000
local terms energy: -113.385705
where:
bonds (distance) C4'-P energy: -24.366
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -31.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -401.116853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.116853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.116853 (E_RNA)
where:
Base-Base interactions energy: -286.176
where: short stacking energy: -119.456
Base-Backbone interact. energy: 1.049
local terms energy: -115.989733
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -393.720003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.720003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.720003 (E_RNA)
where:
Base-Base interactions energy: -287.188
where: short stacking energy: -122.393
Base-Backbone interact. energy: -0.728
local terms energy: -105.804181
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -35.858
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: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -389.596233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.596233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.596233 (E_RNA)
where:
Base-Base interactions energy: -276.874
where: short stacking energy: -109.286
Base-Backbone interact. energy: -0.291
local terms energy: -112.430646
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -32.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -370.256418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.256418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.256418 (E_RNA)
where:
Base-Base interactions energy: -266.932
where: short stacking energy: -102.410
Base-Backbone interact. energy: -0.103
local terms energy: -103.221456
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -30.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -108.791080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.791080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.791080 (E_RNA)
where:
Base-Base interactions energy: -47.247
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.029
local terms energy: -61.515126
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -0.888
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: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -101.465645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.465645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.465645 (E_RNA)
where:
Base-Base interactions energy: -27.459
where: short stacking energy: -26.431
Base-Backbone interact. energy: 0.202
local terms energy: -74.209279
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -425.715738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.715738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.715738 (E_RNA)
where:
Base-Base interactions energy: -296.182
where: short stacking energy: -123.065
Base-Backbone interact. energy: -0.215
local terms energy: -129.318984
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -37.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -418.114422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.114422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.114422 (E_RNA)
where:
Base-Base interactions energy: -295.040
where: short stacking energy: -123.142
Base-Backbone interact. energy: -0.116
local terms energy: -122.957722
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -24.755
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -18.171
tors. eta vs tors. theta energy: -34.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -416.888689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.888689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.888689 (E_RNA)
where:
Base-Base interactions energy: -302.116
where: short stacking energy: -126.050
Base-Backbone interact. energy: -0.611
local terms energy: -114.162400
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -34.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -410.161452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.161452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.161452 (E_RNA)
where:
Base-Base interactions energy: -290.722
where: short stacking energy: -119.401
Base-Backbone interact. energy: -0.345
local terms energy: -119.093959
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -35.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -397.875075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.875075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.875075 (E_RNA)
where:
Base-Base interactions energy: -281.992
where: short stacking energy: -116.043
Base-Backbone interact. energy: -0.245
local terms energy: -115.637401
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -34.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -399.982638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.982638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.982638 (E_RNA)
where:
Base-Base interactions energy: -280.340
where: short stacking energy: -117.405
Base-Backbone interact. energy: -0.001
local terms energy: -119.641294
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -35.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -396.165686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.165686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.165686 (E_RNA)
where:
Base-Base interactions energy: -278.856
where: short stacking energy: -113.068
Base-Backbone interact. energy: -1.020
local terms energy: -116.289020
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -35.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -378.004958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.004958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.004958 (E_RNA)
where:
Base-Base interactions energy: -268.676
where: short stacking energy: -108.528
Base-Backbone interact. energy: -0.011
local terms energy: -109.318258
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -26.053
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -34.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -107.357589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.357589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.357589 (E_RNA)
where:
Base-Base interactions energy: -32.590
where: short stacking energy: -32.590
Base-Backbone interact. energy: 0.149
local terms energy: -74.916362
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -108.767941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.767941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.767941 (E_RNA)
where:
Base-Base interactions energy: -36.716
where: short stacking energy: -36.716
Base-Backbone interact. energy: -0.357
local terms energy: -71.694945
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -414.139126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.139126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.139126 (E_RNA)
where:
Base-Base interactions energy: -289.980
where: short stacking energy: -123.670
Base-Backbone interact. energy: -0.044
local terms energy: -124.115889
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -34.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -414.331290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.331290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.331290 (E_RNA)
where:
Base-Base interactions energy: -296.223
where: short stacking energy: -122.516
Base-Backbone interact. energy: -0.001
local terms energy: -118.107057
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -38.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -414.038164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.038164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.038164 (E_RNA)
where:
Base-Base interactions energy: -294.641
where: short stacking energy: -123.957
Base-Backbone interact. energy: -0.081
local terms energy: -119.316219
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -17.405
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: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -411.894104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.894104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.894104 (E_RNA)
where:
Base-Base interactions energy: -294.876
where: short stacking energy: -125.287
Base-Backbone interact. energy: -0.007
local terms energy: -117.011249
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -36.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -401.842002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.842002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.842002 (E_RNA)
where:
Base-Base interactions energy: -287.308
where: short stacking energy: -116.170
Base-Backbone interact. energy: -0.003
local terms energy: -114.530424
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -33.103
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: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -396.777820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.777820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.777820 (E_RNA)
where:
Base-Base interactions energy: -284.577
where: short stacking energy: -113.470
Base-Backbone interact. energy: -0.166
local terms energy: -112.034533
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -15.090
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -378.463979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.463979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.463979 (E_RNA)
where:
Base-Base interactions energy: -272.688
where: short stacking energy: -110.925
Base-Backbone interact. energy: -0.005
local terms energy: -105.771362
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -31.716
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: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -377.761976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.761976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.761976 (E_RNA)
where:
Base-Base interactions energy: -270.786
where: short stacking energy: -107.158
Base-Backbone interact. energy: -0.270
local terms energy: -106.705744
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -32.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -116.985006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.985006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.985006 (E_RNA)
where:
Base-Base interactions energy: -37.501
where: short stacking energy: -34.946
Base-Backbone interact. energy: -0.824
local terms energy: -78.660115
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -10.515
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: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -109.031225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.031225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.031225 (E_RNA)
where:
Base-Base interactions energy: -44.622
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.143
local terms energy: -64.266268
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -6.352
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: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -419.583176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.583176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.583176 (E_RNA)
where:
Base-Base interactions energy: -296.694
where: short stacking energy: -125.581
Base-Backbone interact. energy: -0.118
local terms energy: -122.770818
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -36.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -418.629752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.629752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.629752 (E_RNA)
where:
Base-Base interactions energy: -297.710
where: short stacking energy: -126.578
Base-Backbone interact. energy: -0.094
local terms energy: -120.825990
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -19.331
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: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -409.016746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.016746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.016746 (E_RNA)
where:
Base-Base interactions energy: -289.623
where: short stacking energy: -117.287
Base-Backbone interact. energy: -0.002
local terms energy: -119.392031
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -35.733
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: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -401.159611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.159611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.159611 (E_RNA)
where:
Base-Base interactions energy: -288.024
where: short stacking energy: -123.088
Base-Backbone interact. energy: -0.001
local terms energy: -113.134684
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -25.992
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -32.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -399.648708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.648708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.648708 (E_RNA)
where:
Base-Base interactions energy: -284.711
where: short stacking energy: -127.499
Base-Backbone interact. energy: -0.001
local terms energy: -114.936510
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -34.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -397.548326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.548326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.548326 (E_RNA)
where:
Base-Base interactions energy: -282.887
where: short stacking energy: -108.758
Base-Backbone interact. energy: -0.072
local terms energy: -114.588786
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -33.319
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: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -388.110161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.110161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.110161 (E_RNA)
where:
Base-Base interactions energy: -275.270
where: short stacking energy: -113.108
Base-Backbone interact. energy: -0.001
local terms energy: -112.839094
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -17.577
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: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -385.607812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.607812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.607812 (E_RNA)
where:
Base-Base interactions energy: -277.996
where: short stacking energy: -113.477
Base-Backbone interact. energy: -0.165
local terms energy: -107.446710
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -32.225
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: 9, replica: 2
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -109.002195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.002195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.002195 (E_RNA)
where:
Base-Base interactions energy: -36.047
where: short stacking energy: -36.123
Base-Backbone interact. energy: -0.543
local terms energy: -72.411646
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -102.223298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.223298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.223298 (E_RNA)
where:
Base-Base interactions energy: -38.708
where: short stacking energy: -35.755
Base-Backbone interact. energy: 1.242
local terms energy: -64.757537
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -10.713
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: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -422.151937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.151937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.151937 (E_RNA)
where:
Base-Base interactions energy: -295.260
where: short stacking energy: -120.689
Base-Backbone interact. energy: -0.001
local terms energy: -126.890827
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -26.996
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -36.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -416.180767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.180767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.180767 (E_RNA)
where:
Base-Base interactions energy: -299.546
where: short stacking energy: -124.557
Base-Backbone interact. energy: 3.032
local terms energy: -119.666534
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -36.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -405.514742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.514742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.514742 (E_RNA)
where:
Base-Base interactions energy: -289.807
where: short stacking energy: -122.021
Base-Backbone interact. energy: -0.009
local terms energy: -115.698480
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -16.463
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: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -386.649697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.649697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.649697 (E_RNA)
where:
Base-Base interactions energy: -281.654
where: short stacking energy: -118.312
Base-Backbone interact. energy: -0.051
local terms energy: -104.944878
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -29.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -391.878799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.878799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.878799 (E_RNA)
where:
Base-Base interactions energy: -287.829
where: short stacking energy: -118.877
Base-Backbone interact. energy: -0.250
local terms energy: -103.800021
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -32.969
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: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -393.632430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.632430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.632430 (E_RNA)
where:
Base-Base interactions energy: -282.438
where: short stacking energy: -118.243
Base-Backbone interact. energy: -0.013
local terms energy: -111.182150
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -37.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -374.239168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.239168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.239168 (E_RNA)
where:
Base-Base interactions energy: -268.689
where: short stacking energy: -103.723
Base-Backbone interact. energy: 0.583
local terms energy: -106.132783
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -26.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -341.147927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.147927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.147927 (E_RNA)
where:
Base-Base interactions energy: -235.959
where: short stacking energy: -96.608
Base-Backbone interact. energy: -0.390
local terms energy: -104.799419
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -30.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -116.801178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.801178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.801178 (E_RNA)
where:
Base-Base interactions energy: -48.193
where: short stacking energy: -36.398
Base-Backbone interact. energy: 0.586
local terms energy: -69.194763
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -1.899
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: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -122.825047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.825047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.825047 (E_RNA)
where:
Base-Base interactions energy: -62.418
where: short stacking energy: -43.721
Base-Backbone interact. energy: 0.137
local terms energy: -60.543778
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -426.034886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.034886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.034886 (E_RNA)
where:
Base-Base interactions energy: -294.263
where: short stacking energy: -126.263
Base-Backbone interact. energy: -0.125
local terms energy: -131.646809
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -35.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -417.478103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.478103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.478103 (E_RNA)
where:
Base-Base interactions energy: -294.953
where: short stacking energy: -120.160
Base-Backbone interact. energy: -0.368
local terms energy: -122.157177
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -26.205
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -34.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -411.040439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.040439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.040439 (E_RNA)
where:
Base-Base interactions energy: -294.645
where: short stacking energy: -119.264
Base-Backbone interact. energy: -0.239
local terms energy: -116.156636
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -34.048
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: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -401.236512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.236512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.236512 (E_RNA)
where:
Base-Base interactions energy: -286.369
where: short stacking energy: -116.089
Base-Backbone interact. energy: -0.007
local terms energy: -114.860640
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -33.094
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: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -409.853332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.853332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.853332 (E_RNA)
where:
Base-Base interactions energy: -289.481
where: short stacking energy: -124.663
Base-Backbone interact. energy: -0.307
local terms energy: -120.065801
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -34.979
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: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -397.715320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.715320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.715320 (E_RNA)
where:
Base-Base interactions energy: -287.816
where: short stacking energy: -120.472
Base-Backbone interact. energy: -0.113
local terms energy: -109.786178
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -36.723
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: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -385.815582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.815582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.815582 (E_RNA)
where:
Base-Base interactions energy: -273.489
where: short stacking energy: -106.510
Base-Backbone interact. energy: -0.011
local terms energy: -112.314885
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -35.233
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: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -375.722943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.722943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.722943 (E_RNA)
where:
Base-Base interactions energy: -266.315
where: short stacking energy: -107.741
Base-Backbone interact. energy: -0.018
local terms energy: -109.390176
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -31.373
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: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -111.962372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.962372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.962372 (E_RNA)
where:
Base-Base interactions energy: -34.449
where: short stacking energy: -31.935
Base-Backbone interact. energy: -1.646
local terms energy: -75.867973
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -109.998558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.998558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.998558 (E_RNA)
where:
Base-Base interactions energy: -38.800
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.616
local terms energy: -70.582483
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -424.666447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.666447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.666447 (E_RNA)
where:
Base-Base interactions energy: -303.453
where: short stacking energy: -125.198
Base-Backbone interact. energy: -0.023
local terms energy: -121.190445
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -34.866
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: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -421.137781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.137781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.137781 (E_RNA)
where:
Base-Base interactions energy: -303.175
where: short stacking energy: -120.872
Base-Backbone interact. energy: -0.001
local terms energy: -117.961860
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -34.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -400.258107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.258107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.258107 (E_RNA)
where:
Base-Base interactions energy: -280.071
where: short stacking energy: -112.954
Base-Backbone interact. energy: -0.001
local terms energy: -120.186111
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -35.032
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: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -410.666075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.666075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.666075 (E_RNA)
where:
Base-Base interactions energy: -287.244
where: short stacking energy: -120.772
Base-Backbone interact. energy: -0.008
local terms energy: -123.414028
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -36.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -393.791748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.791748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.791748 (E_RNA)
where:
Base-Base interactions energy: -277.917
where: short stacking energy: -108.271
Base-Backbone interact. energy: -0.043
local terms energy: -115.831448
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -32.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -394.648269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.648269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.648269 (E_RNA)
where:
Base-Base interactions energy: -283.015
where: short stacking energy: -113.853
Base-Backbone interact. energy: -0.007
local terms energy: -111.626849
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -32.470
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: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -392.876992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.876992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.876992 (E_RNA)
where:
Base-Base interactions energy: -278.788
where: short stacking energy: -114.867
Base-Backbone interact. energy: -0.575
local terms energy: -113.514494
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -14.554
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: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -372.117781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.117781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.117781 (E_RNA)
where:
Base-Base interactions energy: -259.837
where: short stacking energy: -107.051
Base-Backbone interact. energy: -0.958
local terms energy: -111.322800
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -33.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -117.032802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.032802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.032802 (E_RNA)
where:
Base-Base interactions energy: -45.806
where: short stacking energy: -43.524
Base-Backbone interact. energy: -0.113
local terms energy: -71.113012
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -117.707051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.707051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.707051 (E_RNA)
where:
Base-Base interactions energy: -47.450
where: short stacking energy: -25.360
Base-Backbone interact. energy: -0.377
local terms energy: -69.880166
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: 1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -424.148375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.148375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.148375 (E_RNA)
where:
Base-Base interactions energy: -308.588
where: short stacking energy: -126.726
Base-Backbone interact. energy: -0.011
local terms energy: -115.549067
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -35.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -423.031925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.031925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.031925 (E_RNA)
where:
Base-Base interactions energy: -299.166
where: short stacking energy: -125.384
Base-Backbone interact. energy: -0.456
local terms energy: -123.409735
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -35.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -414.945660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.945660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.945660 (E_RNA)
where:
Base-Base interactions energy: -291.538
where: short stacking energy: -120.659
Base-Backbone interact. energy: -0.291
local terms energy: -123.116693
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -35.410
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: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -409.442991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.442991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.442991 (E_RNA)
where:
Base-Base interactions energy: -295.231
where: short stacking energy: -126.084
Base-Backbone interact. energy: -0.002
local terms energy: -114.209827
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -36.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -400.454897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.454897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.454897 (E_RNA)
where:
Base-Base interactions energy: -281.932
where: short stacking energy: -118.710
Base-Backbone interact. energy: -0.170
local terms energy: -118.353409
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -35.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -393.314973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.314973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.314973 (E_RNA)
where:
Base-Base interactions energy: -276.026
where: short stacking energy: -118.702
Base-Backbone interact. energy: -0.001
local terms energy: -117.287741
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -35.374
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: 372
Temperature: 1.200000
Total energy: -386.012922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.012922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.012922 (E_RNA)
where:
Base-Base interactions energy: -273.541
where: short stacking energy: -107.012
Base-Backbone interact. energy: -0.359
local terms energy: -112.112740
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -19.808
tors. eta vs tors. theta energy: -32.517
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: 372
Temperature: 1.250000
Total energy: -378.672173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.672173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.672173 (E_RNA)
where:
Base-Base interactions energy: -268.593
where: short stacking energy: -102.697
Base-Backbone interact. energy: -0.396
local terms energy: -109.683593
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -17.538
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: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -119.924361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.924361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.924361 (E_RNA)
where:
Base-Base interactions energy: -50.053
where: short stacking energy: -35.182
Base-Backbone interact. energy: 1.607
local terms energy: -71.478966
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: 1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -128.676210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.676210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.676210 (E_RNA)
where:
Base-Base interactions energy: -50.211
where: short stacking energy: -40.064
Base-Backbone interact. energy: -0.281
local terms energy: -78.184073
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -424.129761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.129761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.129761 (E_RNA)
where:
Base-Base interactions energy: -302.800
where: short stacking energy: -125.216
Base-Backbone interact. energy: -0.156
local terms energy: -121.174027
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -36.638
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: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -419.904048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.904048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.904048 (E_RNA)
where:
Base-Base interactions energy: -300.242
where: short stacking energy: -123.051
Base-Backbone interact. energy: -0.000
local terms energy: -119.661489
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -15.572
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: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -412.000906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.000906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.000906 (E_RNA)
where:
Base-Base interactions energy: -292.022
where: short stacking energy: -120.808
Base-Backbone interact. energy: -0.001
local terms energy: -119.977788
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -20.525
tors. eta vs tors. theta energy: -35.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -407.092776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.092776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.092776 (E_RNA)
where:
Base-Base interactions energy: -280.476
where: short stacking energy: -112.429
Base-Backbone interact. energy: -0.099
local terms energy: -126.517808
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -33.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -391.685279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.685279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.685279 (E_RNA)
where:
Base-Base interactions energy: -278.916
where: short stacking energy: -112.315
Base-Backbone interact. energy: -0.044
local terms energy: -112.724931
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -37.375
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: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -389.649591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.649591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.649591 (E_RNA)
where:
Base-Base interactions energy: -283.668
where: short stacking energy: -117.136
Base-Backbone interact. energy: -0.001
local terms energy: -105.979956
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -31.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -393.568765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.568765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.568765 (E_RNA)
where:
Base-Base interactions energy: -279.846
where: short stacking energy: -112.093
Base-Backbone interact. energy: 0.728
local terms energy: -114.450057
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -33.494
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: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -378.747727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.747727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.747727 (E_RNA)
where:
Base-Base interactions energy: -269.241
where: short stacking energy: -113.029
Base-Backbone interact. energy: -0.417
local terms energy: -109.090160
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -34.540
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: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -100.997169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.997169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.997169 (E_RNA)
where:
Base-Base interactions energy: -30.500
where: short stacking energy: -27.949
Base-Backbone interact. energy: -0.425
local terms energy: -70.072472
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: 2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -96.790551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.790551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.790551 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.362
local terms energy: -62.058913
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: 3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -419.804337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.804337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.804337 (E_RNA)
where:
Base-Base interactions energy: -290.171
where: short stacking energy: -125.870
Base-Backbone interact. energy: -0.030
local terms energy: -129.603561
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -36.485
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: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -416.829093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.829093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.829093 (E_RNA)
where:
Base-Base interactions energy: -291.542
where: short stacking energy: -119.278
Base-Backbone interact. energy: -0.663
local terms energy: -124.624243
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -37.883
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: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -426.608971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.608971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.608971 (E_RNA)
where:
Base-Base interactions energy: -302.388
where: short stacking energy: -127.016
Base-Backbone interact. energy: -0.000
local terms energy: -124.220354
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -37.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -404.486019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.486019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.486019 (E_RNA)
where:
Base-Base interactions energy: -284.729
where: short stacking energy: -111.125
Base-Backbone interact. energy: -0.786
local terms energy: -118.971249
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -31.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -402.099581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.099581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.099581 (E_RNA)
where:
Base-Base interactions energy: -281.346
where: short stacking energy: -113.989
Base-Backbone interact. energy: -0.455
local terms energy: -120.298684
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -25.586
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -36.434
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: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -393.379116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.379116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.379116 (E_RNA)
where:
Base-Base interactions energy: -278.155
where: short stacking energy: -111.889
Base-Backbone interact. energy: -0.051
local terms energy: -115.172710
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -32.374
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: 374
Temperature: 1.200000
Total energy: -388.400355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.400355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.400355 (E_RNA)
where:
Base-Base interactions energy: -280.199
where: short stacking energy: -114.561
Base-Backbone interact. energy: -0.003
local terms energy: -108.198358
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -35.796
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: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -369.613698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.613698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.613698 (E_RNA)
where:
Base-Base interactions energy: -257.409
where: short stacking energy: -106.509
Base-Backbone interact. energy: -0.439
local terms energy: -111.765642
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -31.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -112.236147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.236147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.236147 (E_RNA)
where:
Base-Base interactions energy: -42.557
where: short stacking energy: -41.445
Base-Backbone interact. energy: 1.206
local terms energy: -70.884492
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -106.627004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.627004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.627004 (E_RNA)
where:
Base-Base interactions energy: -37.673
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.020
local terms energy: -68.934746
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -11.879
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: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -410.940705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.940705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.940705 (E_RNA)
where:
Base-Base interactions energy: -287.316
where: short stacking energy: -121.723
Base-Backbone interact. energy: 0.073
local terms energy: -123.697457
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -33.985
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: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -414.407750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.407750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.407750 (E_RNA)
where:
Base-Base interactions energy: -292.057
where: short stacking energy: -121.474
Base-Backbone interact. energy: -0.415
local terms energy: -121.935887
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -36.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -417.365147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.365147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.365147 (E_RNA)
where:
Base-Base interactions energy: -300.500
where: short stacking energy: -126.452
Base-Backbone interact. energy: 3.446
local terms energy: -120.310640
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -35.298
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: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -412.883377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.883377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.883377 (E_RNA)
where:
Base-Base interactions energy: -289.159
where: short stacking energy: -118.826
Base-Backbone interact. energy: -0.005
local terms energy: -123.719234
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -20.727
tors. eta vs tors. theta energy: -37.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -398.000746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.000746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.000746 (E_RNA)
where:
Base-Base interactions energy: -280.242
where: short stacking energy: -114.128
Base-Backbone interact. energy: -0.046
local terms energy: -117.712601
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -36.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -389.567695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.567695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.567695 (E_RNA)
where:
Base-Base interactions energy: -270.262
where: short stacking energy: -113.305
Base-Backbone interact. energy: -1.384
local terms energy: -117.921620
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -390.930996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.930996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.930996 (E_RNA)
where:
Base-Base interactions energy: -280.109
where: short stacking energy: -120.624
Base-Backbone interact. energy: -0.002
local terms energy: -110.820079
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -37.016
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: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -388.591163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.591163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.591163 (E_RNA)
where:
Base-Base interactions energy: -279.477
where: short stacking energy: -119.445
Base-Backbone interact. energy: -0.634
local terms energy: -108.480504
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -16.041
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: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -102.741570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.741570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.741570 (E_RNA)
where:
Base-Base interactions energy: -35.605
where: short stacking energy: -29.166
Base-Backbone interact. energy: -0.215
local terms energy: -66.921488
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: 2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -96.088268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.088268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.088268 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -10.340
Base-Backbone interact. energy: -1.021
local terms energy: -54.833427
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: 11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -428.745634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.745634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.745634 (E_RNA)
where:
Base-Base interactions energy: -300.489
where: short stacking energy: -121.279
Base-Backbone interact. energy: -0.816
local terms energy: -127.440951
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -36.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -419.775610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.775610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.775610 (E_RNA)
where:
Base-Base interactions energy: -294.818
where: short stacking energy: -120.641
Base-Backbone interact. energy: -0.004
local terms energy: -124.953015
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -37.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -409.989960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.989960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.989960 (E_RNA)
where:
Base-Base interactions energy: -290.470
where: short stacking energy: -121.629
Base-Backbone interact. energy: -0.002
local terms energy: -119.517774
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -34.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -413.436537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.436537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.436537 (E_RNA)
where:
Base-Base interactions energy: -290.249
where: short stacking energy: -120.294
Base-Backbone interact. energy: -0.277
local terms energy: -122.910845
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -33.687
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: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -400.165849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.165849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.165849 (E_RNA)
where:
Base-Base interactions energy: -278.568
where: short stacking energy: -114.175
Base-Backbone interact. energy: -0.015
local terms energy: -121.582872
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -25.685
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -35.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -391.155294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.155294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.155294 (E_RNA)
where:
Base-Base interactions energy: -284.230
where: short stacking energy: -113.948
Base-Backbone interact. energy: -0.007
local terms energy: -106.918403
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -35.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -390.065389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.065389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.065389 (E_RNA)
where:
Base-Base interactions energy: -276.591
where: short stacking energy: -111.138
Base-Backbone interact. energy: -0.221
local terms energy: -113.253693
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -33.251
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: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -388.680414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.680414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.680414 (E_RNA)
where:
Base-Base interactions energy: -278.173
where: short stacking energy: -115.851
Base-Backbone interact. energy: -0.053
local terms energy: -110.453856
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -35.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -110.293648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.293648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.293648 (E_RNA)
where:
Base-Base interactions energy: -40.028
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.438
local terms energy: -69.827923
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: 0.185
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: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -106.313745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.313745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.313745 (E_RNA)
where:
Base-Base interactions energy: -42.666
where: short stacking energy: -34.822
Base-Backbone interact. energy: -1.073
local terms energy: -62.574194
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: 4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -423.910349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.910349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.910349 (E_RNA)
where:
Base-Base interactions energy: -296.511
where: short stacking energy: -120.327
Base-Backbone interact. energy: -0.001
local terms energy: -127.398437
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -37.430
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: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -420.747007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.747007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.747007 (E_RNA)
where:
Base-Base interactions energy: -296.181
where: short stacking energy: -120.308
Base-Backbone interact. energy: -0.771
local terms energy: -123.794366
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -34.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -405.248513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.248513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.248513 (E_RNA)
where:
Base-Base interactions energy: -284.727
where: short stacking energy: -113.889
Base-Backbone interact. energy: -0.003
local terms energy: -120.518972
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -36.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -404.571143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.571143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.571143 (E_RNA)
where:
Base-Base interactions energy: -285.731
where: short stacking energy: -113.939
Base-Backbone interact. energy: -0.296
local terms energy: -118.543271
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -33.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -384.813650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.813650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.813650 (E_RNA)
where:
Base-Base interactions energy: -271.924
where: short stacking energy: -113.018
Base-Backbone interact. energy: -0.019
local terms energy: -112.870705
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -33.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -389.708275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.708275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.708275 (E_RNA)
where:
Base-Base interactions energy: -276.305
where: short stacking energy: -113.593
Base-Backbone interact. energy: -0.545
local terms energy: -112.858763
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -32.872
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: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -388.885306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.885306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.885306 (E_RNA)
where:
Base-Base interactions energy: -275.457
where: short stacking energy: -114.131
Base-Backbone interact. energy: -0.003
local terms energy: -113.425531
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -19.758
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: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -391.914910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.914910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.914910 (E_RNA)
where:
Base-Base interactions energy: -278.070
where: short stacking energy: -112.570
Base-Backbone interact. energy: -0.436
local terms energy: -113.408585
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -30.320
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: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -109.131978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.131978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.131978 (E_RNA)
where:
Base-Base interactions energy: -50.906
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.409
local terms energy: -57.816663
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: 4.258
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: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -129.057143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.057143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.057143 (E_RNA)
where:
Base-Base interactions energy: -55.132
where: short stacking energy: -37.349
Base-Backbone interact. energy: -0.741
local terms energy: -73.183296
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -13.066
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: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -423.762711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.762711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.762711 (E_RNA)
where:
Base-Base interactions energy: -302.857
where: short stacking energy: -125.424
Base-Backbone interact. energy: -0.013
local terms energy: -120.893381
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -34.382
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: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -417.460857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.460857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.460857 (E_RNA)
where:
Base-Base interactions energy: -299.648
where: short stacking energy: -125.381
Base-Backbone interact. energy: -0.827
local terms energy: -116.985705
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -33.930
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: 378
Temperature: 1.000000
Total energy: -403.563090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.563090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.563090 (E_RNA)
where:
Base-Base interactions energy: -285.555
where: short stacking energy: -122.895
Base-Backbone interact. energy: -0.537
local terms energy: -117.471757
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -34.924
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: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -410.118613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.118613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.118613 (E_RNA)
where:
Base-Base interactions energy: -293.387
where: short stacking energy: -119.229
Base-Backbone interact. energy: -0.005
local terms energy: -116.726590
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -34.100
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: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -403.525412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.525412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.525412 (E_RNA)
where:
Base-Base interactions energy: -290.279
where: short stacking energy: -126.343
Base-Backbone interact. energy: -0.364
local terms energy: -112.882360
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -33.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -386.744236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.744236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.744236 (E_RNA)
where:
Base-Base interactions energy: -275.617
where: short stacking energy: -114.454
Base-Backbone interact. energy: 0.450
local terms energy: -111.577323
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -34.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -387.108307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.108307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.108307 (E_RNA)
where:
Base-Base interactions energy: -284.028
where: short stacking energy: -113.755
Base-Backbone interact. energy: -0.002
local terms energy: -103.077923
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -33.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -372.270729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.270729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.270729 (E_RNA)
where:
Base-Base interactions energy: -261.004
where: short stacking energy: -107.694
Base-Backbone interact. energy: -1.029
local terms energy: -110.237653
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -30.912
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: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -140.203437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.203437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.203437 (E_RNA)
where:
Base-Base interactions energy: -64.514
where: short stacking energy: -64.352
Base-Backbone interact. energy: 0.832
local terms energy: -76.521206
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -8.428
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: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -109.640070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.640070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.640070 (E_RNA)
where:
Base-Base interactions energy: -45.432
where: short stacking energy: -33.358
Base-Backbone interact. energy: -0.448
local terms energy: -63.760140
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: 5.169
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: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -430.847342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.847342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.847342 (E_RNA)
where:
Base-Base interactions energy: -300.724
where: short stacking energy: -123.779
Base-Backbone interact. energy: -0.001
local terms energy: -130.122324
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -36.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -421.840239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.840239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.840239 (E_RNA)
where:
Base-Base interactions energy: -301.012
where: short stacking energy: -122.563
Base-Backbone interact. energy: -0.006
local terms energy: -120.821834
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -38.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -419.869306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.869306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.869306 (E_RNA)
where:
Base-Base interactions energy: -295.403
where: short stacking energy: -121.309
Base-Backbone interact. energy: -0.157
local terms energy: -124.309449
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -33.393
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: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -400.549366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.549366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.549366 (E_RNA)
where:
Base-Base interactions energy: -281.076
where: short stacking energy: -115.339
Base-Backbone interact. energy: -0.168
local terms energy: -119.305273
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -35.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -401.769489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.769489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.769489 (E_RNA)
where:
Base-Base interactions energy: -282.109
where: short stacking energy: -114.501
Base-Backbone interact. energy: -0.464
local terms energy: -119.197236
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -34.268
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: 379
Temperature: 1.150000
Total energy: -391.149711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.149711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.149711 (E_RNA)
where:
Base-Base interactions energy: -273.629
where: short stacking energy: -107.701
Base-Backbone interact. energy: 1.128
local terms energy: -118.648450
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -32.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -380.901390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.901390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.901390 (E_RNA)
where:
Base-Base interactions energy: -277.224
where: short stacking energy: -110.402
Base-Backbone interact. energy: 3.049
local terms energy: -106.726247
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -15.501
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: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -393.843818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.843818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.843818 (E_RNA)
where:
Base-Base interactions energy: -278.569
where: short stacking energy: -116.818
Base-Backbone interact. energy: -0.004
local terms energy: -115.270698
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -37.186
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: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -109.265995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.265995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.265995 (E_RNA)
where:
Base-Base interactions energy: -40.879
where: short stacking energy: -43.147
Base-Backbone interact. energy: -0.140
local terms energy: -68.246998
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -117.876886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.876886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.876886 (E_RNA)
where:
Base-Base interactions energy: -48.973
where: short stacking energy: -46.159
Base-Backbone interact. energy: -0.064
local terms energy: -68.839319
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -423.089999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.089999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.089999 (E_RNA)
where:
Base-Base interactions energy: -301.712
where: short stacking energy: -127.113
Base-Backbone interact. energy: -0.052
local terms energy: -121.326456
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -37.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -417.087267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.087267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.087267 (E_RNA)
where:
Base-Base interactions energy: -288.958
where: short stacking energy: -130.496
Base-Backbone interact. energy: -0.001
local terms energy: -128.127638
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -38.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -407.820390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.820390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.820390 (E_RNA)
where:
Base-Base interactions energy: -294.272
where: short stacking energy: -123.167
Base-Backbone interact. energy: -0.084
local terms energy: -113.464029
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -32.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -413.019477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.019477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.019477 (E_RNA)
where:
Base-Base interactions energy: -296.948
where: short stacking energy: -119.063
Base-Backbone interact. energy: -0.020
local terms energy: -116.051858
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -33.043
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: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -401.988316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.988316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.988316 (E_RNA)
where:
Base-Base interactions energy: -284.661
where: short stacking energy: -125.662
Base-Backbone interact. energy: -0.025
local terms energy: -117.302513
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -35.916
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: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -393.437777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.437777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.437777 (E_RNA)
where:
Base-Base interactions energy: -279.047
where: short stacking energy: -114.922
Base-Backbone interact. energy: -0.020
local terms energy: -114.371071
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -33.152
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: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -384.032882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.032882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.032882 (E_RNA)
where:
Base-Base interactions energy: -273.884
where: short stacking energy: -120.871
Base-Backbone interact. energy: -0.002
local terms energy: -110.146580
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -35.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -376.847609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.847609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.847609 (E_RNA)
where:
Base-Base interactions energy: -263.836
where: short stacking energy: -107.081
Base-Backbone interact. energy: -0.001
local terms energy: -113.010323
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -35.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -124.133186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.133186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.133186 (E_RNA)
where:
Base-Base interactions energy: -55.054
where: short stacking energy: -38.010
Base-Backbone interact. energy: -1.048
local terms energy: -68.031438
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: 2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -100.511566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.511566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.511566 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -25.337
Base-Backbone interact. energy: -0.252
local terms energy: -72.362244
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -0.953
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: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -424.116760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.116760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.116760 (E_RNA)
where:
Base-Base interactions energy: -300.494
where: short stacking energy: -123.908
Base-Backbone interact. energy: -0.440
local terms energy: -123.182506
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -36.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -411.798184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.798184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.798184 (E_RNA)
where:
Base-Base interactions energy: -293.764
where: short stacking energy: -118.274
Base-Backbone interact. energy: -0.102
local terms energy: -117.932383
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -33.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -414.399806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.399806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.399806 (E_RNA)
where:
Base-Base interactions energy: -290.520
where: short stacking energy: -121.957
Base-Backbone interact. energy: -0.042
local terms energy: -123.838199
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -36.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -402.063150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.063150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.063150 (E_RNA)
where:
Base-Base interactions energy: -284.955
where: short stacking energy: -115.689
Base-Backbone interact. energy: -0.855
local terms energy: -116.253098
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -34.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -395.873824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.873824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.873824 (E_RNA)
where:
Base-Base interactions energy: -280.761
where: short stacking energy: -116.346
Base-Backbone interact. energy: -0.034
local terms energy: -115.079192
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -32.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -406.839726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.839726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.839726 (E_RNA)
where:
Base-Base interactions energy: -287.181
where: short stacking energy: -115.864
Base-Backbone interact. energy: 0.468
local terms energy: -120.127390
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: -36.914
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: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -386.731185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.731185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.731185 (E_RNA)
where:
Base-Base interactions energy: -277.128
where: short stacking energy: -108.632
Base-Backbone interact. energy: -0.404
local terms energy: -109.199121
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -32.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -387.912826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.912826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.912826 (E_RNA)
where:
Base-Base interactions energy: -286.327
where: short stacking energy: -112.397
Base-Backbone interact. energy: -0.413
local terms energy: -101.172968
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -33.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -117.497821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.497821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.497821 (E_RNA)
where:
Base-Base interactions energy: -46.195
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.638
local terms energy: -70.664133
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -11.053
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: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -101.345621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.345621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.345621 (E_RNA)
where:
Base-Base interactions energy: -38.545
where: short stacking energy: -35.937
Base-Backbone interact. energy: -0.330
local terms energy: -62.470838
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: 0.873
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: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -418.973766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.973766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.973766 (E_RNA)
where:
Base-Base interactions energy: -302.763
where: short stacking energy: -122.116
Base-Backbone interact. energy: -1.360
local terms energy: -114.851180
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -17.658
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: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -413.274877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.274877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.274877 (E_RNA)
where:
Base-Base interactions energy: -288.907
where: short stacking energy: -123.473
Base-Backbone interact. energy: -0.587
local terms energy: -123.781062
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -33.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -407.323767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.323767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.323767 (E_RNA)
where:
Base-Base interactions energy: -284.520
where: short stacking energy: -118.788
Base-Backbone interact. energy: -0.001
local terms energy: -122.802715
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -35.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -408.173002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.173002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.173002 (E_RNA)
where:
Base-Base interactions energy: -291.450
where: short stacking energy: -116.911
Base-Backbone interact. energy: -0.525
local terms energy: -116.197893
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -33.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -391.876427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.876427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.876427 (E_RNA)
where:
Base-Base interactions energy: -273.648
where: short stacking energy: -107.181
Base-Backbone interact. energy: -0.611
local terms energy: -117.617310
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -35.244
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: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -397.815605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.815605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.815605 (E_RNA)
where:
Base-Base interactions energy: -284.315
where: short stacking energy: -117.293
Base-Backbone interact. energy: -0.054
local terms energy: -113.446645
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -37.273
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: 382
Temperature: 1.200000
Total energy: -396.713010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.713010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.713010 (E_RNA)
where:
Base-Base interactions energy: -284.148
where: short stacking energy: -110.984
Base-Backbone interact. energy: -0.002
local terms energy: -112.563372
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -35.661
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: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -367.874740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.874740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.874740 (E_RNA)
where:
Base-Base interactions energy: -269.894
where: short stacking energy: -111.018
Base-Backbone interact. energy: -0.001
local terms energy: -97.979523
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -7.206
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -36.103
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: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -117.523992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.523992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.523992 (E_RNA)
where:
Base-Base interactions energy: -41.661
where: short stacking energy: -41.661
Base-Backbone interact. energy: -0.333
local terms energy: -75.530312
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -110.569618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.569618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.569618 (E_RNA)
where:
Base-Base interactions energy: -50.883
where: short stacking energy: -22.978
Base-Backbone interact. energy: -0.215
local terms energy: -59.471791
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -24.647
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.136
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: 383
Temperature: 0.900000
Total energy: -431.143209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.143209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.143209 (E_RNA)
where:
Base-Base interactions energy: -301.337
where: short stacking energy: -128.584
Base-Backbone interact. energy: -0.497
local terms energy: -129.308992
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -22.795
flat angles C4'-P-C4' energy: -26.949
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -37.487
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: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -415.643704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.643704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.643704 (E_RNA)
where:
Base-Base interactions energy: -289.167
where: short stacking energy: -126.375
Base-Backbone interact. energy: -0.001
local terms energy: -126.476217
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -36.076
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: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -413.509720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.509720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.509720 (E_RNA)
where:
Base-Base interactions energy: -294.848
where: short stacking energy: -115.963
Base-Backbone interact. energy: 0.096
local terms energy: -118.758105
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -36.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -404.134198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.134198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.134198 (E_RNA)
where:
Base-Base interactions energy: -288.451
where: short stacking energy: -119.344
Base-Backbone interact. energy: -0.000
local terms energy: -115.682729
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -35.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -412.085195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.085195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.085195 (E_RNA)
where:
Base-Base interactions energy: -289.872
where: short stacking energy: -120.158
Base-Backbone interact. energy: -0.006
local terms energy: -122.206975
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -35.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -396.157145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.157145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.157145 (E_RNA)
where:
Base-Base interactions energy: -288.340
where: short stacking energy: -122.666
Base-Backbone interact. energy: -0.049
local terms energy: -107.768535
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -33.189
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: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -391.319962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.319962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.319962 (E_RNA)
where:
Base-Base interactions energy: -279.174
where: short stacking energy: -113.625
Base-Backbone interact. energy: -0.623
local terms energy: -111.522240
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -31.866
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: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -348.852981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.852981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.852981 (E_RNA)
where:
Base-Base interactions energy: -239.348
where: short stacking energy: -93.370
Base-Backbone interact. energy: -0.143
local terms energy: -109.362030
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -30.472
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -107.557885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.557885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.557885 (E_RNA)
where:
Base-Base interactions energy: -38.481
where: short stacking energy: -32.819
Base-Backbone interact. energy: -2.085
local terms energy: -66.991374
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -104.079024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.079024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.079024 (E_RNA)
where:
Base-Base interactions energy: -43.762
where: short stacking energy: -24.469
Base-Backbone interact. energy: 0.252
local terms energy: -60.569313
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: 2.646
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: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -423.180546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.180546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.180546 (E_RNA)
where:
Base-Base interactions energy: -308.348
where: short stacking energy: -127.881
Base-Backbone interact. energy: -0.002
local terms energy: -114.830729
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -37.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -413.072598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.072598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.072598 (E_RNA)
where:
Base-Base interactions energy: -288.847
where: short stacking energy: -121.136
Base-Backbone interact. energy: -0.003
local terms energy: -124.221910
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -36.120
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: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -409.425330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.425330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.425330 (E_RNA)
where:
Base-Base interactions energy: -292.004
where: short stacking energy: -118.028
Base-Backbone interact. energy: -0.643
local terms energy: -116.778959
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -34.352
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: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -404.618475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.618475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.618475 (E_RNA)
where:
Base-Base interactions energy: -291.891
where: short stacking energy: -123.911
Base-Backbone interact. energy: -0.002
local terms energy: -112.725314
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -36.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -401.252687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.252687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.252687 (E_RNA)
where:
Base-Base interactions energy: -287.859
where: short stacking energy: -120.801
Base-Backbone interact. energy: -0.024
local terms energy: -113.368877
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -36.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -397.803950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.803950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.803950 (E_RNA)
where:
Base-Base interactions energy: -285.323
where: short stacking energy: -117.245
Base-Backbone interact. energy: -0.346
local terms energy: -112.135315
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -35.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -389.916760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.916760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.916760 (E_RNA)
where:
Base-Base interactions energy: -272.050
where: short stacking energy: -112.339
Base-Backbone interact. energy: -0.021
local terms energy: -117.845302
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -25.127
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -33.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -387.310853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.310853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.310853 (E_RNA)
where:
Base-Base interactions energy: -271.940
where: short stacking energy: -111.897
Base-Backbone interact. energy: 0.496
local terms energy: -115.866806
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -37.519
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: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -113.834127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.834127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.834127 (E_RNA)
where:
Base-Base interactions energy: -39.749
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.505
local terms energy: -73.579912
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -103.426634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.426634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.426634 (E_RNA)
where:
Base-Base interactions energy: -29.314
where: short stacking energy: -22.793
Base-Backbone interact. energy: -0.550
local terms energy: -73.562567
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -420.621186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.621186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.621186 (E_RNA)
where:
Base-Base interactions energy: -298.506
where: short stacking energy: -126.483
Base-Backbone interact. energy: -0.001
local terms energy: -122.114372
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -36.588
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: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -411.642981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.642981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.642981 (E_RNA)
where:
Base-Base interactions energy: -289.120
where: short stacking energy: -122.933
Base-Backbone interact. energy: -0.013
local terms energy: -122.509157
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -35.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -412.786662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.786662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.786662 (E_RNA)
where:
Base-Base interactions energy: -291.727
where: short stacking energy: -117.674
Base-Backbone interact. energy: -0.012
local terms energy: -121.048572
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -25.371
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -33.871
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -401.016793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.016793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.016793 (E_RNA)
where:
Base-Base interactions energy: -286.545
where: short stacking energy: -119.078
Base-Backbone interact. energy: -0.194
local terms energy: -114.277738
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -37.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -404.615325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.615325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.615325 (E_RNA)
where:
Base-Base interactions energy: -288.056
where: short stacking energy: -119.398
Base-Backbone interact. energy: -0.766
local terms energy: -115.793015
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -32.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -398.338971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.338971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.338971 (E_RNA)
where:
Base-Base interactions energy: -278.198
where: short stacking energy: -113.886
Base-Backbone interact. energy: -0.789
local terms energy: -119.351978
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -26.412
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -34.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -384.624679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.624679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.624679 (E_RNA)
where:
Base-Base interactions energy: -275.071
where: short stacking energy: -110.465
Base-Backbone interact. energy: -0.023
local terms energy: -109.530538
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -35.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -371.071149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.071149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.071149 (E_RNA)
where:
Base-Base interactions energy: -265.268
where: short stacking energy: -110.506
Base-Backbone interact. energy: -0.341
local terms energy: -105.461960
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -18.781
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: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -116.596332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.596332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.596332 (E_RNA)
where:
Base-Base interactions energy: -46.093
where: short stacking energy: -43.005
Base-Backbone interact. energy: -0.468
local terms energy: -70.035724
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: 2.765
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: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -110.181813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.181813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.181813 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -34.678
Base-Backbone interact. energy: 1.946
local terms energy: -74.370427
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -5.011
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: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -426.297908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.297908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.297908 (E_RNA)
where:
Base-Base interactions energy: -300.014
where: short stacking energy: -127.340
Base-Backbone interact. energy: -0.369
local terms energy: -125.915261
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -38.491
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: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -417.248298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.248298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.248298 (E_RNA)
where:
Base-Base interactions energy: -300.997
where: short stacking energy: -121.949
Base-Backbone interact. energy: -0.005
local terms energy: -116.246923
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -32.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -411.143917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.143917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.143917 (E_RNA)
where:
Base-Base interactions energy: -284.859
where: short stacking energy: -108.431
Base-Backbone interact. energy: -0.504
local terms energy: -125.780538
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -36.356
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: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -402.631723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.631723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.631723 (E_RNA)
where:
Base-Base interactions energy: -288.817
where: short stacking energy: -117.833
Base-Backbone interact. energy: -0.713
local terms energy: -113.101902
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -35.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -402.495234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.495234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.495234 (E_RNA)
where:
Base-Base interactions energy: -281.197
where: short stacking energy: -112.550
Base-Backbone interact. energy: -0.014
local terms energy: -121.284323
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -36.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -398.681724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.681724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.681724 (E_RNA)
where:
Base-Base interactions energy: -277.015
where: short stacking energy: -113.208
Base-Backbone interact. energy: -0.837
local terms energy: -120.829981
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -20.780
tors. eta vs tors. theta energy: -36.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -390.255933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.255933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.255933 (E_RNA)
where:
Base-Base interactions energy: -278.994
where: short stacking energy: -111.231
Base-Backbone interact. energy: -0.008
local terms energy: -111.253609
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -33.042
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: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -385.498555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.498555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.498555 (E_RNA)
where:
Base-Base interactions energy: -271.137
where: short stacking energy: -115.650
Base-Backbone interact. energy: -0.018
local terms energy: -114.344261
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -35.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -122.231176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.231176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.231176 (E_RNA)
where:
Base-Base interactions energy: -53.701
where: short stacking energy: -37.912
Base-Backbone interact. energy: 0.501
local terms energy: -69.031119
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -8.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -103.105725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.105725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.105725 (E_RNA)
where:
Base-Base interactions energy: -30.089
where: short stacking energy: -30.089
Base-Backbone interact. energy: -0.268
local terms energy: -72.748832
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -6.254
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: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -421.799808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.799808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.799808 (E_RNA)
where:
Base-Base interactions energy: -295.332
where: short stacking energy: -125.019
Base-Backbone interact. energy: -0.237
local terms energy: -126.231462
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -36.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -421.876835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.876835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.876835 (E_RNA)
where:
Base-Base interactions energy: -294.463
where: short stacking energy: -124.382
Base-Backbone interact. energy: -0.001
local terms energy: -127.413351
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -415.422211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.422211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.422211 (E_RNA)
where:
Base-Base interactions energy: -293.718
where: short stacking energy: -116.710
Base-Backbone interact. energy: -0.383
local terms energy: -121.321061
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -26.708
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -34.904
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: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -401.140354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.140354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.140354 (E_RNA)
where:
Base-Base interactions energy: -292.966
where: short stacking energy: -116.346
Base-Backbone interact. energy: -0.079
local terms energy: -108.095368
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -34.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -403.553114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.553114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.553114 (E_RNA)
where:
Base-Base interactions energy: -288.380
where: short stacking energy: -122.525
Base-Backbone interact. energy: -0.010
local terms energy: -115.162667
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -37.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -390.161557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.161557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.161557 (E_RNA)
where:
Base-Base interactions energy: -276.086
where: short stacking energy: -112.058
Base-Backbone interact. energy: -0.593
local terms energy: -113.482856
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -35.553
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: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -384.319902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.319902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.319902 (E_RNA)
where:
Base-Base interactions energy: -281.252
where: short stacking energy: -113.124
Base-Backbone interact. energy: 0.806
local terms energy: -103.873885
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -31.724
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: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -385.150816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.150816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.150816 (E_RNA)
where:
Base-Base interactions energy: -272.086
where: short stacking energy: -109.497
Base-Backbone interact. energy: -0.008
local terms energy: -113.056910
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -35.937
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: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -102.351322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.351322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.351322 (E_RNA)
where:
Base-Base interactions energy: -46.336
where: short stacking energy: -33.403
Base-Backbone interact. energy: -0.220
local terms energy: -55.795528
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: 3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -109.223120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.223120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.223120 (E_RNA)
where:
Base-Base interactions energy: -32.760
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.067
local terms energy: -76.396045
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -422.173450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.173450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.173450 (E_RNA)
where:
Base-Base interactions energy: -300.098
where: short stacking energy: -127.216
Base-Backbone interact. energy: -0.014
local terms energy: -122.061444
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -32.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -415.841929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.841929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.841929 (E_RNA)
where:
Base-Base interactions energy: -291.514
where: short stacking energy: -114.915
Base-Backbone interact. energy: 0.638
local terms energy: -124.965987
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -33.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -420.887676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.887676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.887676 (E_RNA)
where:
Base-Base interactions energy: -297.887
where: short stacking energy: -122.717
Base-Backbone interact. energy: -0.075
local terms energy: -122.926162
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -38.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -407.072764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.072764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.072764 (E_RNA)
where:
Base-Base interactions energy: -279.421
where: short stacking energy: -109.209
Base-Backbone interact. energy: -0.084
local terms energy: -127.568127
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -19.579
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: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -396.302420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.302420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.302420 (E_RNA)
where:
Base-Base interactions energy: -282.145
where: short stacking energy: -113.814
Base-Backbone interact. energy: 1.528
local terms energy: -115.685162
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -21.737
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -395.523590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.523590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.523590 (E_RNA)
where:
Base-Base interactions energy: -275.030
where: short stacking energy: -107.395
Base-Backbone interact. energy: -0.009
local terms energy: -120.484844
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -25.720
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -34.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -377.571969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.571969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.571969 (E_RNA)
where:
Base-Base interactions energy: -273.617
where: short stacking energy: -109.515
Base-Backbone interact. energy: -0.098
local terms energy: -103.857008
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -18.151
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -374.846814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.846814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.846814 (E_RNA)
where:
Base-Base interactions energy: -265.101
where: short stacking energy: -106.562
Base-Backbone interact. energy: -0.091
local terms energy: -109.654563
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -30.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -108.934120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.934120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.934120 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -34.994
Base-Backbone interact. energy: -0.283
local terms energy: -73.584236
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: 0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -113.837804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.837804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.837804 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -31.834
Base-Backbone interact. energy: 0.376
local terms energy: -73.357452
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -421.682816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.682816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.682816 (E_RNA)
where:
Base-Base interactions energy: -302.132
where: short stacking energy: -128.408
Base-Backbone interact. energy: -0.657
local terms energy: -118.894136
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -35.451
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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -421.484091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.484091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.484091 (E_RNA)
where:
Base-Base interactions energy: -297.505
where: short stacking energy: -123.754
Base-Backbone interact. energy: -0.659
local terms energy: -123.320054
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -36.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -405.855976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.855976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.855976 (E_RNA)
where:
Base-Base interactions energy: -293.080
where: short stacking energy: -118.818
Base-Backbone interact. energy: -0.003
local terms energy: -112.773263
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -35.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -408.324208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.324208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.324208 (E_RNA)
where:
Base-Base interactions energy: -282.916
where: short stacking energy: -112.590
Base-Backbone interact. energy: -0.191
local terms energy: -125.216805
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -34.818
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: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -397.954523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.954523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.954523 (E_RNA)
where:
Base-Base interactions energy: -280.897
where: short stacking energy: -111.984
Base-Backbone interact. energy: 0.241
local terms energy: -117.299260
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -33.089
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: 389
Temperature: 1.150000
Total energy: -397.217272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.217272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.217272 (E_RNA)
where:
Base-Base interactions energy: -285.431
where: short stacking energy: -114.446
Base-Backbone interact. energy: -0.015
local terms energy: -111.771535
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -367.502767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.502767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.502767 (E_RNA)
where:
Base-Base interactions energy: -255.528
where: short stacking energy: -106.778
Base-Backbone interact. energy: -0.049
local terms energy: -111.925294
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -32.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -373.485202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.485202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.485202 (E_RNA)
where:
Base-Base interactions energy: -267.360
where: short stacking energy: -111.612
Base-Backbone interact. energy: -0.039
local terms energy: -106.086752
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -33.569
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: 2
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -112.526854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.526854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.526854 (E_RNA)
where:
Base-Base interactions energy: -34.681
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.152
local terms energy: -77.693682
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -114.709084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.709084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.709084 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -32.830
Base-Backbone interact. energy: 1.531
local terms energy: -70.682046
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -429.489488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.489488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.489488 (E_RNA)
where:
Base-Base interactions energy: -297.910
where: short stacking energy: -121.098
Base-Backbone interact. energy: -0.293
local terms energy: -131.286551
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -36.917
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: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -416.265419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.265419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.265419 (E_RNA)
where:
Base-Base interactions energy: -292.782
where: short stacking energy: -122.264
Base-Backbone interact. energy: -0.069
local terms energy: -123.414306
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -34.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -413.411353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.411353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.411353 (E_RNA)
where:
Base-Base interactions energy: -295.830
where: short stacking energy: -119.877
Base-Backbone interact. energy: 1.278
local terms energy: -118.859366
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -401.461965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.461965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.461965 (E_RNA)
where:
Base-Base interactions energy: -281.114
where: short stacking energy: -115.038
Base-Backbone interact. energy: -0.159
local terms energy: -120.189052
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -18.724
tors. eta vs tors. theta energy: -35.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -396.248472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.248472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.248472 (E_RNA)
where:
Base-Base interactions energy: -284.020
where: short stacking energy: -114.391
Base-Backbone interact. energy: -0.186
local terms energy: -112.042448
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -33.615
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: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -389.689065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.689065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.689065 (E_RNA)
where:
Base-Base interactions energy: -274.514
where: short stacking energy: -115.455
Base-Backbone interact. energy: -0.003
local terms energy: -115.172175
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -34.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -383.289637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.289637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.289637 (E_RNA)
where:
Base-Base interactions energy: -270.935
where: short stacking energy: -106.857
Base-Backbone interact. energy: -0.331
local terms energy: -112.023719
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -17.268
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: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -365.168556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.168556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.168556 (E_RNA)
where:
Base-Base interactions energy: -256.786
where: short stacking energy: -105.511
Base-Backbone interact. energy: -0.109
local terms energy: -108.273091
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -32.029
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: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -116.995889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.995889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.995889 (E_RNA)
where:
Base-Base interactions energy: -38.184
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.929
local terms energy: -77.882412
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -7.144
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: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -97.678747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.678747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.678747 (E_RNA)
where:
Base-Base interactions energy: -41.411
where: short stacking energy: -38.491
Base-Backbone interact. energy: 0.543
local terms energy: -56.811081
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -0.129
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: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -422.746935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.746935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.746935 (E_RNA)
where:
Base-Base interactions energy: -302.747
where: short stacking energy: -126.723
Base-Backbone interact. energy: -0.657
local terms energy: -119.342796
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -38.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -412.493366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.493366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.493366 (E_RNA)
where:
Base-Base interactions energy: -288.538
where: short stacking energy: -115.033
Base-Backbone interact. energy: -0.034
local terms energy: -123.921003
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -31.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -413.573704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.573704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.573704 (E_RNA)
where:
Base-Base interactions energy: -292.222
where: short stacking energy: -117.269
Base-Backbone interact. energy: -0.346
local terms energy: -121.006136
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -35.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -411.983533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.983533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.983533 (E_RNA)
where:
Base-Base interactions energy: -288.847
where: short stacking energy: -120.941
Base-Backbone interact. energy: -0.010
local terms energy: -123.126817
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -26.850
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -33.993
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: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -401.581437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.581437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.581437 (E_RNA)
where:
Base-Base interactions energy: -278.920
where: short stacking energy: -115.244
Base-Backbone interact. energy: -0.084
local terms energy: -122.578345
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -37.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -400.400163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.400163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.400163 (E_RNA)
where:
Base-Base interactions energy: -287.503
where: short stacking energy: -116.752
Base-Backbone interact. energy: -0.078
local terms energy: -112.819418
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -19.814
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: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -387.376950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.376950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.376950 (E_RNA)
where:
Base-Base interactions energy: -280.958
where: short stacking energy: -118.398
Base-Backbone interact. energy: -0.575
local terms energy: -105.843501
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -33.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -390.261214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.261214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.261214 (E_RNA)
where:
Base-Base interactions energy: -277.832
where: short stacking energy: -112.692
Base-Backbone interact. energy: -0.368
local terms energy: -112.061027
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -36.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -118.796628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.796628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.796628 (E_RNA)
where:
Base-Base interactions energy: -51.508
where: short stacking energy: -41.429
Base-Backbone interact. energy: -0.686
local terms energy: -66.602680
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -0.813
tors. eta vs tors. theta energy: -10.005
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: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -100.205852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.205852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.205852 (E_RNA)
where:
Base-Base interactions energy: -24.026
where: short stacking energy: -15.195
Base-Backbone interact. energy: -0.219
local terms energy: -75.960715
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: 7.906
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: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -419.991991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.991991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.991991 (E_RNA)
where:
Base-Base interactions energy: -299.107
where: short stacking energy: -119.384
Base-Backbone interact. energy: -0.397
local terms energy: -120.487895
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -28.108
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -34.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -415.240697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.240697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.240697 (E_RNA)
where:
Base-Base interactions energy: -293.309
where: short stacking energy: -120.927
Base-Backbone interact. energy: -0.016
local terms energy: -121.914900
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -36.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -401.244679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.244679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.244679 (E_RNA)
where:
Base-Base interactions energy: -287.063
where: short stacking energy: -123.097
Base-Backbone interact. energy: -0.911
local terms energy: -113.270683
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -33.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -406.600056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.600056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.600056 (E_RNA)
where:
Base-Base interactions energy: -294.065
where: short stacking energy: -124.192
Base-Backbone interact. energy: -0.153
local terms energy: -112.382280
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -36.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -405.259503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.259503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.259503 (E_RNA)
where:
Base-Base interactions energy: -294.642
where: short stacking energy: -121.373
Base-Backbone interact. energy: -0.001
local terms energy: -110.617021
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -13.795
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: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -392.339666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.339666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.339666 (E_RNA)
where:
Base-Base interactions energy: -278.750
where: short stacking energy: -111.097
Base-Backbone interact. energy: 0.111
local terms energy: -113.699961
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -33.841
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: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -385.938785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.938785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.938785 (E_RNA)
where:
Base-Base interactions energy: -284.241
where: short stacking energy: -113.131
Base-Backbone interact. energy: -0.517
local terms energy: -101.180435
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -34.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -394.217281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.217281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.217281 (E_RNA)
where:
Base-Base interactions energy: -285.661
where: short stacking energy: -116.861
Base-Backbone interact. energy: -0.001
local terms energy: -108.555883
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -36.008
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: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -117.168583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.168583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.168583 (E_RNA)
where:
Base-Base interactions energy: -49.312
where: short stacking energy: -36.769
Base-Backbone interact. energy: 0.705
local terms energy: -68.561320
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -4.230
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: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -105.660781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.660781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.660781 (E_RNA)
where:
Base-Base interactions energy: -34.291
where: short stacking energy: -17.279
Base-Backbone interact. energy: -0.546
local terms energy: -70.823292
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: 2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -424.946501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.946501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.946501 (E_RNA)
where:
Base-Base interactions energy: -297.048
where: short stacking energy: -121.476
Base-Backbone interact. energy: -0.280
local terms energy: -127.618469
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -37.701
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: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -409.739057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.739057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.739057 (E_RNA)
where:
Base-Base interactions energy: -289.315
where: short stacking energy: -121.511
Base-Backbone interact. energy: -0.355
local terms energy: -120.069439
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -34.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -410.381978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.381978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.381978 (E_RNA)
where:
Base-Base interactions energy: -293.790
where: short stacking energy: -119.344
Base-Backbone interact. energy: -0.305
local terms energy: -116.286638
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -25.514
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -33.752
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: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -405.944420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.944420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.944420 (E_RNA)
where:
Base-Base interactions energy: -283.506
where: short stacking energy: -119.663
Base-Backbone interact. energy: -0.636
local terms energy: -121.801611
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -33.875
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: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -399.040682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.040682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.040682 (E_RNA)
where:
Base-Base interactions energy: -283.674
where: short stacking energy: -118.506
Base-Backbone interact. energy: 0.218
local terms energy: -115.584669
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -32.271
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: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -394.256510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.256510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.256510 (E_RNA)
where:
Base-Base interactions energy: -283.115
where: short stacking energy: -117.295
Base-Backbone interact. energy: -0.004
local terms energy: -111.137645
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -24.562
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -34.968
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: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -377.915446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.915446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.915446 (E_RNA)
where:
Base-Base interactions energy: -266.176
where: short stacking energy: -105.988
Base-Backbone interact. energy: -0.308
local terms energy: -111.431512
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -29.956
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: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -383.563628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.563628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.563628 (E_RNA)
where:
Base-Base interactions energy: -270.488
where: short stacking energy: -107.680
Base-Backbone interact. energy: -0.148
local terms energy: -112.926940
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -35.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -108.037892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.037892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.037892 (E_RNA)
where:
Base-Base interactions energy: -46.136
where: short stacking energy: -40.667
Base-Backbone interact. energy: 0.819
local terms energy: -62.721115
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -3.903
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: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -110.770160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.770160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.770160 (E_RNA)
where:
Base-Base interactions energy: -58.588
where: short stacking energy: -24.806
Base-Backbone interact. energy: 1.536
local terms energy: -53.718422
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -419.500194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.500194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.500194 (E_RNA)
where:
Base-Base interactions energy: -300.148
where: short stacking energy: -124.962
Base-Backbone interact. energy: -0.130
local terms energy: -119.222041
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -33.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -421.726032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.726032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.726032 (E_RNA)
where:
Base-Base interactions energy: -297.857
where: short stacking energy: -122.473
Base-Backbone interact. energy: -0.002
local terms energy: -123.867023
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -37.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -413.170853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.170853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.170853 (E_RNA)
where:
Base-Base interactions energy: -286.910
where: short stacking energy: -117.232
Base-Backbone interact. energy: -0.005
local terms energy: -126.255993
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -26.236
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -36.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -412.461461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.461461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.461461 (E_RNA)
where:
Base-Base interactions energy: -289.682
where: short stacking energy: -125.917
Base-Backbone interact. energy: -0.282
local terms energy: -122.497690
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -37.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -397.578006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.578006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.578006 (E_RNA)
where:
Base-Base interactions energy: -285.739
where: short stacking energy: -119.845
Base-Backbone interact. energy: -0.002
local terms energy: -111.837549
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -35.975
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: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -392.894461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.894461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.894461 (E_RNA)
where:
Base-Base interactions energy: -278.175
where: short stacking energy: -114.081
Base-Backbone interact. energy: -0.594
local terms energy: -114.125344
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -34.952
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: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -396.038800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.038800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.038800 (E_RNA)
where:
Base-Base interactions energy: -280.521
where: short stacking energy: -113.023
Base-Backbone interact. energy: -0.158
local terms energy: -115.360220
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -18.032
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: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -381.963843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.963843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.963843 (E_RNA)
where:
Base-Base interactions energy: -279.601
where: short stacking energy: -115.299
Base-Backbone interact. energy: -0.002
local terms energy: -102.359966
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -33.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -111.670441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.670441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.670441 (E_RNA)
where:
Base-Base interactions energy: -47.791
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.197
local terms energy: -63.682251
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -116.939167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.939167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.939167 (E_RNA)
where:
Base-Base interactions energy: -47.327
where: short stacking energy: -32.057
Base-Backbone interact. energy: 0.512
local terms energy: -70.123988
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -7.013
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: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -419.161743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.161743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.161743 (E_RNA)
where:
Base-Base interactions energy: -296.138
where: short stacking energy: -118.381
Base-Backbone interact. energy: -0.004
local terms energy: -123.019712
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -34.051
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: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -415.506570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.506570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.506570 (E_RNA)
where:
Base-Base interactions energy: -296.990
where: short stacking energy: -120.818
Base-Backbone interact. energy: -0.005
local terms energy: -118.510932
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -35.505
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: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -409.019844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.019844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.019844 (E_RNA)
where:
Base-Base interactions energy: -282.994
where: short stacking energy: -116.352
Base-Backbone interact. energy: -0.432
local terms energy: -125.594270
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -37.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -402.095384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.095384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.095384 (E_RNA)
where:
Base-Base interactions energy: -280.459
where: short stacking energy: -116.629
Base-Backbone interact. energy: -0.265
local terms energy: -121.370637
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -26.894
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -37.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -404.082335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.082335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.082335 (E_RNA)
where:
Base-Base interactions energy: -289.708
where: short stacking energy: -119.458
Base-Backbone interact. energy: -0.051
local terms energy: -114.323094
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -19.892
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: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -386.959778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.959778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.959778 (E_RNA)
where:
Base-Base interactions energy: -277.532
where: short stacking energy: -112.490
Base-Backbone interact. energy: -0.004
local terms energy: -109.423829
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -31.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -385.493382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.493382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.493382 (E_RNA)
where:
Base-Base interactions energy: -274.589
where: short stacking energy: -109.276
Base-Backbone interact. energy: -0.043
local terms energy: -110.861524
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -31.152
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: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -377.592134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.592134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.592134 (E_RNA)
where:
Base-Base interactions energy: -273.687
where: short stacking energy: -110.461
Base-Backbone interact. energy: -0.011
local terms energy: -103.893597
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -30.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -105.059697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.059697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.059697 (E_RNA)
where:
Base-Base interactions energy: -41.667
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.192
local terms energy: -63.201534
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -0.473
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: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -105.096666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.096666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.096666 (E_RNA)
where:
Base-Base interactions energy: -38.809
where: short stacking energy: -31.519
Base-Backbone interact. energy: -0.468
local terms energy: -65.819611
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: 3.269
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: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -418.130903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.130903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.130903 (E_RNA)
where:
Base-Base interactions energy: -291.019
where: short stacking energy: -117.367
Base-Backbone interact. energy: -0.689
local terms energy: -126.422133
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -36.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -413.645951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.645951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.645951 (E_RNA)
where:
Base-Base interactions energy: -291.743
where: short stacking energy: -115.751
Base-Backbone interact. energy: -0.002
local terms energy: -121.901178
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -32.536
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: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -406.741043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.741043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.741043 (E_RNA)
where:
Base-Base interactions energy: -290.936
where: short stacking energy: -114.595
Base-Backbone interact. energy: -0.001
local terms energy: -115.804713
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -412.113020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.113020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.113020 (E_RNA)
where:
Base-Base interactions energy: -297.761
where: short stacking energy: -121.044
Base-Backbone interact. energy: -0.421
local terms energy: -113.931365
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -36.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -396.888783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.888783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.888783 (E_RNA)
where:
Base-Base interactions energy: -284.177
where: short stacking energy: -115.997
Base-Backbone interact. energy: -0.001
local terms energy: -112.711351
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -26.321
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -33.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -392.360651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.360651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.360651 (E_RNA)
where:
Base-Base interactions energy: -281.338
where: short stacking energy: -114.471
Base-Backbone interact. energy: -0.034
local terms energy: -110.989045
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -33.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -384.469005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.469005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.469005 (E_RNA)
where:
Base-Base interactions energy: -275.902
where: short stacking energy: -111.587
Base-Backbone interact. energy: -0.022
local terms energy: -108.545294
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -373.953955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.953955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.953955 (E_RNA)
where:
Base-Base interactions energy: -261.923
where: short stacking energy: -107.647
Base-Backbone interact. energy: -0.002
local terms energy: -112.028220
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -31.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -117.992610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.992610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.992610 (E_RNA)
where:
Base-Base interactions energy: -51.839
where: short stacking energy: -34.308
Base-Backbone interact. energy: -0.173
local terms energy: -65.980602
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -104.562726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.562726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.562726 (E_RNA)
where:
Base-Base interactions energy: -45.691
where: short stacking energy: -45.691
Base-Backbone interact. energy: -0.194
local terms energy: -58.678432
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -420.621511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.621511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.621511 (E_RNA)
where:
Base-Base interactions energy: -300.232
where: short stacking energy: -123.377
Base-Backbone interact. energy: -0.022
local terms energy: -120.367357
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -35.520
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: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -418.191691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.191691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.191691 (E_RNA)
where:
Base-Base interactions energy: -302.053
where: short stacking energy: -125.336
Base-Backbone interact. energy: -0.001
local terms energy: -116.138460
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -37.568
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: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -415.023863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.023863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.023863 (E_RNA)
where:
Base-Base interactions energy: -290.517
where: short stacking energy: -114.169
Base-Backbone interact. energy: -0.044
local terms energy: -124.463775
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -34.359
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: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -414.959592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.959592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.959592 (E_RNA)
where:
Base-Base interactions energy: -299.604
where: short stacking energy: -122.027
Base-Backbone interact. energy: -0.293
local terms energy: -115.062288
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -34.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -400.527338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.527338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.527338 (E_RNA)
where:
Base-Base interactions energy: -292.354
where: short stacking energy: -119.867
Base-Backbone interact. energy: -0.006
local terms energy: -108.167912
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -35.895
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: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -407.362602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.362602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.362602 (E_RNA)
where:
Base-Base interactions energy: -288.526
where: short stacking energy: -120.754
Base-Backbone interact. energy: 0.341
local terms energy: -119.177543
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -35.364
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: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -391.392156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.392156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.392156 (E_RNA)
where:
Base-Base interactions energy: -278.812
where: short stacking energy: -117.514
Base-Backbone interact. energy: -0.240
local terms energy: -112.339531
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -32.013
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: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -365.397281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.397281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.397281 (E_RNA)
where:
Base-Base interactions energy: -253.943
where: short stacking energy: -100.336
Base-Backbone interact. energy: -0.907
local terms energy: -110.547605
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -31.962
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: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -129.122922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.122922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.122922 (E_RNA)
where:
Base-Base interactions energy: -42.758
where: short stacking energy: -42.758
Base-Backbone interact. energy: -0.103
local terms energy: -86.261811
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -7.842
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: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -113.756378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.756378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.756378 (E_RNA)
where:
Base-Base interactions energy: -43.483
where: short stacking energy: -39.002
Base-Backbone interact. energy: -0.272
local terms energy: -70.000724
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -424.095517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.095517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.095517 (E_RNA)
where:
Base-Base interactions energy: -297.111
where: short stacking energy: -121.452
Base-Backbone interact. energy: -0.065
local terms energy: -126.919326
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -34.020
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: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -422.466476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.466476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.466476 (E_RNA)
where:
Base-Base interactions energy: -294.795
where: short stacking energy: -122.894
Base-Backbone interact. energy: -0.432
local terms energy: -127.239422
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -26.132
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -36.638
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: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -405.366544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.366544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.366544 (E_RNA)
where:
Base-Base interactions energy: -291.945
where: short stacking energy: -111.964
Base-Backbone interact. energy: -0.030
local terms energy: -113.392070
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -30.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -409.399161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.399161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.399161 (E_RNA)
where:
Base-Base interactions energy: -293.065
where: short stacking energy: -119.298
Base-Backbone interact. energy: -0.896
local terms energy: -115.437442
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -34.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -399.499849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.499849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.499849 (E_RNA)
where:
Base-Base interactions energy: -283.496
where: short stacking energy: -120.404
Base-Backbone interact. energy: -1.364
local terms energy: -114.639770
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -35.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -390.448026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.448026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.448026 (E_RNA)
where:
Base-Base interactions energy: -271.704
where: short stacking energy: -114.063
Base-Backbone interact. energy: -0.157
local terms energy: -118.586761
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -19.599
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: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -381.691409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.691409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.691409 (E_RNA)
where:
Base-Base interactions energy: -277.511
where: short stacking energy: -121.931
Base-Backbone interact. energy: -0.247
local terms energy: -103.932969
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -31.029
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: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -378.647591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.647591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.647591 (E_RNA)
where:
Base-Base interactions energy: -270.723
where: short stacking energy: -107.158
Base-Backbone interact. energy: -0.126
local terms energy: -107.798531
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -15.191
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: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -120.948416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.948416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.948416 (E_RNA)
where:
Base-Base interactions energy: -53.538
where: short stacking energy: -35.355
Base-Backbone interact. energy: -0.061
local terms energy: -67.349394
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -106.580531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.580531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.580531 (E_RNA)
where:
Base-Base interactions energy: -38.008
where: short stacking energy: -36.912
Base-Backbone interact. energy: -0.163
local terms energy: -68.409196
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -412.460203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.460203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.460203 (E_RNA)
where:
Base-Base interactions energy: -288.282
where: short stacking energy: -114.684
Base-Backbone interact. energy: -0.681
local terms energy: -123.497371
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -32.625
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: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -414.747410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.747410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.747410 (E_RNA)
where:
Base-Base interactions energy: -301.387
where: short stacking energy: -123.248
Base-Backbone interact. energy: -0.042
local terms energy: -113.318508
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -10.941
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: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -408.204077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.204077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.204077 (E_RNA)
where:
Base-Base interactions energy: -295.317
where: short stacking energy: -120.790
Base-Backbone interact. energy: -0.001
local terms energy: -112.885810
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -35.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -401.728125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.728125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.728125 (E_RNA)
where:
Base-Base interactions energy: -281.575
where: short stacking energy: -108.386
Base-Backbone interact. energy: -0.128
local terms energy: -120.024804
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -34.833
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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -397.840155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.840155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.840155 (E_RNA)
where:
Base-Base interactions energy: -273.883
where: short stacking energy: -106.225
Base-Backbone interact. energy: -0.267
local terms energy: -123.689797
where:
bonds (distance) C4'-P energy: -24.679
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -36.052
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: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -392.176021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.176021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.176021 (E_RNA)
where:
Base-Base interactions energy: -278.460
where: short stacking energy: -115.914
Base-Backbone interact. energy: -0.280
local terms energy: -113.435590
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -33.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -399.590964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.590964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.590964 (E_RNA)
where:
Base-Base interactions energy: -284.417
where: short stacking energy: -117.107
Base-Backbone interact. energy: -0.001
local terms energy: -115.172845
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -36.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -381.418608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.418608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.418608 (E_RNA)
where:
Base-Base interactions energy: -279.790
where: short stacking energy: -113.544
Base-Backbone interact. energy: 1.187
local terms energy: -102.815186
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -32.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -115.684739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.684739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.684739 (E_RNA)
where:
Base-Base interactions energy: -50.743
where: short stacking energy: -35.748
Base-Backbone interact. energy: -1.036
local terms energy: -63.906640
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: 1.916
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: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -115.986794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.986794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.986794 (E_RNA)
where:
Base-Base interactions energy: -52.590
where: short stacking energy: -35.374
Base-Backbone interact. energy: -0.373
local terms energy: -63.023557
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -9.526
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: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -421.991967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.991967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.991967 (E_RNA)
where:
Base-Base interactions energy: -301.731
where: short stacking energy: -121.157
Base-Backbone interact. energy: -0.074
local terms energy: -120.187078
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -35.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -411.268037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.268037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.268037 (E_RNA)
where:
Base-Base interactions energy: -288.965
where: short stacking energy: -114.136
Base-Backbone interact. energy: -0.344
local terms energy: -121.959421
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -36.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -408.454904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.454904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.454904 (E_RNA)
where:
Base-Base interactions energy: -282.968
where: short stacking energy: -117.417
Base-Backbone interact. energy: -0.688
local terms energy: -124.799009
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -35.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -401.980285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.980285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.980285 (E_RNA)
where:
Base-Base interactions energy: -279.891
where: short stacking energy: -111.033
Base-Backbone interact. energy: -0.039
local terms energy: -122.050193
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -35.399
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: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -399.137618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.137618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.137618 (E_RNA)
where:
Base-Base interactions energy: -289.882
where: short stacking energy: -117.727
Base-Backbone interact. energy: -0.238
local terms energy: -109.017786
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -14.877
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: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -393.062624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.062624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.062624 (E_RNA)
where:
Base-Base interactions energy: -280.416
where: short stacking energy: -114.378
Base-Backbone interact. energy: -0.870
local terms energy: -111.776953
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -32.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -387.419593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.419593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.419593 (E_RNA)
where:
Base-Base interactions energy: -271.624
where: short stacking energy: -108.904
Base-Backbone interact. energy: -0.001
local terms energy: -115.795154
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -35.738
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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -380.557192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.557192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.557192 (E_RNA)
where:
Base-Base interactions energy: -271.854
where: short stacking energy: -110.407
Base-Backbone interact. energy: 0.035
local terms energy: -108.737570
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -32.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -109.380804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.380804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.380804 (E_RNA)
where:
Base-Base interactions energy: -38.498
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.320
local terms energy: -70.562158
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -100.299292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.299292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.299292 (E_RNA)
where:
Base-Base interactions energy: -48.299
where: short stacking energy: -27.661
Base-Backbone interact. energy: -0.306
local terms energy: -51.693615
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -4.189
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: 1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -415.264958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.264958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.264958 (E_RNA)
where:
Base-Base interactions energy: -293.394
where: short stacking energy: -122.179
Base-Backbone interact. energy: -0.158
local terms energy: -121.713214
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -18.780
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: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -411.995815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.995815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.995815 (E_RNA)
where:
Base-Base interactions energy: -279.732
where: short stacking energy: -114.760
Base-Backbone interact. energy: -0.687
local terms energy: -131.577021
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -35.168
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: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -409.160760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.160760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.160760 (E_RNA)
where:
Base-Base interactions energy: -291.068
where: short stacking energy: -112.365
Base-Backbone interact. energy: -0.030
local terms energy: -118.062550
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -35.710
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: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -399.716323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.716323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.716323 (E_RNA)
where:
Base-Base interactions energy: -284.672
where: short stacking energy: -122.090
Base-Backbone interact. energy: -0.053
local terms energy: -114.991374
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -34.840
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: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -395.704604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.704604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.704604 (E_RNA)
where:
Base-Base interactions energy: -273.014
where: short stacking energy: -117.276
Base-Backbone interact. energy: 0.914
local terms energy: -123.604544
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -36.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -400.260324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.260324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.260324 (E_RNA)
where:
Base-Base interactions energy: -287.542
where: short stacking energy: -123.145
Base-Backbone interact. energy: 0.527
local terms energy: -113.245607
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -35.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -384.890638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.890638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.890638 (E_RNA)
where:
Base-Base interactions energy: -274.537
where: short stacking energy: -109.579
Base-Backbone interact. energy: 0.324
local terms energy: -110.678503
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -31.590
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: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -374.816447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.816447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.816447 (E_RNA)
where:
Base-Base interactions energy: -270.191
where: short stacking energy: -106.952
Base-Backbone interact. energy: -0.130
local terms energy: -104.494839
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -29.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -117.147988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.147988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.147988 (E_RNA)
where:
Base-Base interactions energy: -51.134
where: short stacking energy: -44.754
Base-Backbone interact. energy: 1.647
local terms energy: -67.661232
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -114.428401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.428401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.428401 (E_RNA)
where:
Base-Base interactions energy: -53.036
where: short stacking energy: -34.453
Base-Backbone interact. energy: -0.246
local terms energy: -61.146226
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -421.114471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.114471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.114471 (E_RNA)
where:
Base-Base interactions energy: -297.769
where: short stacking energy: -122.831
Base-Backbone interact. energy: -0.159
local terms energy: -123.185886
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -34.872
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: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -414.759742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.759742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.759742 (E_RNA)
where:
Base-Base interactions energy: -293.809
where: short stacking energy: -123.223
Base-Backbone interact. energy: -0.626
local terms energy: -120.325008
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -35.032
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: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -408.824885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.824885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.824885 (E_RNA)
where:
Base-Base interactions energy: -291.586
where: short stacking energy: -123.861
Base-Backbone interact. energy: 1.032
local terms energy: -118.270796
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -36.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -409.809322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.809322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.809322 (E_RNA)
where:
Base-Base interactions energy: -286.895
where: short stacking energy: -116.424
Base-Backbone interact. energy: -0.048
local terms energy: -122.866524
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -36.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -404.687774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.687774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.687774 (E_RNA)
where:
Base-Base interactions energy: -286.176
where: short stacking energy: -121.088
Base-Backbone interact. energy: -0.002
local terms energy: -118.509369
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -33.679
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: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -390.489256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.489256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.489256 (E_RNA)
where:
Base-Base interactions energy: -276.409
where: short stacking energy: -116.941
Base-Backbone interact. energy: -0.067
local terms energy: -114.013229
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -36.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -389.701014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.701014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.701014 (E_RNA)
where:
Base-Base interactions energy: -272.097
where: short stacking energy: -113.574
Base-Backbone interact. energy: -0.899
local terms energy: -116.704667
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -36.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -377.246325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.246325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.246325 (E_RNA)
where:
Base-Base interactions energy: -267.931
where: short stacking energy: -100.936
Base-Backbone interact. energy: -0.520
local terms energy: -108.794983
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -29.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -165.386756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.386756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.386756 (E_RNA)
where:
Base-Base interactions energy: -95.654
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.697
local terms energy: -69.036205
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -102.160239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.160239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.160239 (E_RNA)
where:
Base-Base interactions energy: -45.723
where: short stacking energy: -35.162
Base-Backbone interact. energy: -0.490
local terms energy: -55.947571
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -420.406752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.406752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.406752 (E_RNA)
where:
Base-Base interactions energy: -300.984
where: short stacking energy: -126.310
Base-Backbone interact. energy: -0.195
local terms energy: -119.228463
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -34.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -412.116030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.116030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.116030 (E_RNA)
where:
Base-Base interactions energy: -296.520
where: short stacking energy: -124.166
Base-Backbone interact. energy: -0.941
local terms energy: -114.654524
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -36.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -404.682854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.682854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.682854 (E_RNA)
where:
Base-Base interactions energy: -293.864
where: short stacking energy: -121.505
Base-Backbone interact. energy: -0.012
local terms energy: -110.806634
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -33.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -406.616683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.616683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.616683 (E_RNA)
where:
Base-Base interactions energy: -287.370
where: short stacking energy: -115.941
Base-Backbone interact. energy: -0.343
local terms energy: -118.903870
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -35.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -393.409863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.409863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.409863 (E_RNA)
where:
Base-Base interactions energy: -285.015
where: short stacking energy: -117.473
Base-Backbone interact. energy: -0.007
local terms energy: -108.388010
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -35.979
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: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -392.317953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.317953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.317953 (E_RNA)
where:
Base-Base interactions energy: -280.967
where: short stacking energy: -113.707
Base-Backbone interact. energy: -0.633
local terms energy: -110.717951
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -24.758
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -32.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -383.420447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.420447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.420447 (E_RNA)
where:
Base-Base interactions energy: -271.907
where: short stacking energy: -105.942
Base-Backbone interact. energy: -0.020
local terms energy: -111.493864
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -35.299
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: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -380.455108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.455108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.455108 (E_RNA)
where:
Base-Base interactions energy: -272.128
where: short stacking energy: -109.908
Base-Backbone interact. energy: -0.500
local terms energy: -107.827411
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -32.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -122.283516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.283516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.283516 (E_RNA)
where:
Base-Base interactions energy: -49.146
where: short stacking energy: -41.320
Base-Backbone interact. energy: -0.081
local terms energy: -73.056276
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -5.685
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: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -99.417300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.417300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.417300 (E_RNA)
where:
Base-Base interactions energy: -46.592
where: short stacking energy: -34.981
Base-Backbone interact. energy: -0.191
local terms energy: -52.633370
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: 3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -423.823309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.823309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.823309 (E_RNA)
where:
Base-Base interactions energy: -294.794
where: short stacking energy: -124.937
Base-Backbone interact. energy: -0.163
local terms energy: -128.865800
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -38.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -424.744225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.744225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.744225 (E_RNA)
where:
Base-Base interactions energy: -302.123
where: short stacking energy: -128.123
Base-Backbone interact. energy: -0.001
local terms energy: -122.620173
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -36.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -411.944857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.944857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.944857 (E_RNA)
where:
Base-Base interactions energy: -293.699
where: short stacking energy: -118.396
Base-Backbone interact. energy: -0.629
local terms energy: -117.616096
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -26.868
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -32.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -412.082059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.082059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.082059 (E_RNA)
where:
Base-Base interactions energy: -295.821
where: short stacking energy: -121.584
Base-Backbone interact. energy: -0.021
local terms energy: -116.239942
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -32.493
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: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -406.136146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.136146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.136146 (E_RNA)
where:
Base-Base interactions energy: -287.398
where: short stacking energy: -119.232
Base-Backbone interact. energy: -0.876
local terms energy: -117.862189
where:
bonds (distance) C4'-P energy: -22.501
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -35.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -393.555663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.555663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.555663 (E_RNA)
where:
Base-Base interactions energy: -275.341
where: short stacking energy: -106.669
Base-Backbone interact. energy: -0.300
local terms energy: -117.914588
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -32.175
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: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -391.164177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.164177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.164177 (E_RNA)
where:
Base-Base interactions energy: -288.668
where: short stacking energy: -119.061
Base-Backbone interact. energy: -0.648
local terms energy: -101.848768
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -34.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -392.606492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.606492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.606492 (E_RNA)
where:
Base-Base interactions energy: -282.231
where: short stacking energy: -111.682
Base-Backbone interact. energy: -0.043
local terms energy: -110.332055
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -36.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -106.163694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.163694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.163694 (E_RNA)
where:
Base-Base interactions energy: -40.912
where: short stacking energy: -32.493
Base-Backbone interact. energy: -0.317
local terms energy: -64.935047
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: 3.031
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: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -117.409312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.409312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.409312 (E_RNA)
where:
Base-Base interactions energy: -62.097
where: short stacking energy: -39.663
Base-Backbone interact. energy: -0.659
local terms energy: -54.653470
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: 7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -427.376756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.376756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.376756 (E_RNA)
where:
Base-Base interactions energy: -305.464
where: short stacking energy: -123.284
Base-Backbone interact. energy: 0.719
local terms energy: -122.631905
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -34.223
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: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -412.519061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.519061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.519061 (E_RNA)
where:
Base-Base interactions energy: -287.788
where: short stacking energy: -117.330
Base-Backbone interact. energy: -0.694
local terms energy: -124.036928
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -25.005
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -37.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -408.901804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.901804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.901804 (E_RNA)
where:
Base-Base interactions energy: -290.992
where: short stacking energy: -117.565
Base-Backbone interact. energy: -0.935
local terms energy: -116.974121
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -406.889301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.889301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.889301 (E_RNA)
where:
Base-Base interactions energy: -292.465
where: short stacking energy: -120.111
Base-Backbone interact. energy: 0.307
local terms energy: -114.731382
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -31.994
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: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -398.445423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.445423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.445423 (E_RNA)
where:
Base-Base interactions energy: -284.419
where: short stacking energy: -115.960
Base-Backbone interact. energy: -0.566
local terms energy: -113.461316
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -33.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -407.033536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.033536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.033536 (E_RNA)
where:
Base-Base interactions energy: -286.002
where: short stacking energy: -122.604
Base-Backbone interact. energy: -0.013
local terms energy: -121.017806
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -36.695
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: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -387.026498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.026498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.026498 (E_RNA)
where:
Base-Base interactions energy: -272.102
where: short stacking energy: -108.109
Base-Backbone interact. energy: 0.055
local terms energy: -114.978922
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -35.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -387.226324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.226324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.226324 (E_RNA)
where:
Base-Base interactions energy: -279.367
where: short stacking energy: -118.400
Base-Backbone interact. energy: -0.050
local terms energy: -107.808786
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -16.973
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: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -170.331975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.331975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.331975 (E_RNA)
where:
Base-Base interactions energy: -95.060
where: short stacking energy: -54.498
Base-Backbone interact. energy: 0.273
local terms energy: -75.544376
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -15.442
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: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -113.090518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.090518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.090518 (E_RNA)
where:
Base-Base interactions energy: -53.124
where: short stacking energy: -35.203
Base-Backbone interact. energy: 3.782
local terms energy: -63.748363
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: 5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -423.757747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.757747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.757747 (E_RNA)
where:
Base-Base interactions energy: -297.037
where: short stacking energy: -123.842
Base-Backbone interact. energy: -0.066
local terms energy: -126.654455
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -33.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -408.240312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.240312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.240312 (E_RNA)
where:
Base-Base interactions energy: -286.492
where: short stacking energy: -114.700
Base-Backbone interact. energy: -0.017
local terms energy: -121.731625
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -17.713
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: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -421.318097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.318097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.318097 (E_RNA)
where:
Base-Base interactions energy: -291.339
where: short stacking energy: -115.321
Base-Backbone interact. energy: -0.764
local terms energy: -129.215347
where:
bonds (distance) C4'-P energy: -25.439
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -36.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -407.470739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.470739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.470739 (E_RNA)
where:
Base-Base interactions energy: -288.265
where: short stacking energy: -114.161
Base-Backbone interact. energy: -0.002
local terms energy: -119.203625
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -406.093352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.093352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.093352 (E_RNA)
where:
Base-Base interactions energy: -285.062
where: short stacking energy: -121.255
Base-Backbone interact. energy: -0.013
local terms energy: -121.017806
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -36.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -397.807988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.807988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.807988 (E_RNA)
where:
Base-Base interactions energy: -273.016
where: short stacking energy: -120.754
Base-Backbone interact. energy: -0.011
local terms energy: -124.780489
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -35.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -395.717806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.717806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.717806 (E_RNA)
where:
Base-Base interactions energy: -280.626
where: short stacking energy: -114.776
Base-Backbone interact. energy: -0.002
local terms energy: -115.090519
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -33.044
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: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -368.408416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.408416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.408416 (E_RNA)
where:
Base-Base interactions energy: -264.570
where: short stacking energy: -110.867
Base-Backbone interact. energy: -0.230
local terms energy: -103.608211
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -29.704
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: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -202.478708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.478708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.478708 (E_RNA)
where:
Base-Base interactions energy: -125.020
where: short stacking energy: -64.331
Base-Backbone interact. energy: 0.606
local terms energy: -78.064269
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -102.752896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.752896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.752896 (E_RNA)
where:
Base-Base interactions energy: -34.293
where: short stacking energy: -23.298
Base-Backbone interact. energy: -1.124
local terms energy: -67.336007
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -418.957280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.957280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.957280 (E_RNA)
where:
Base-Base interactions energy: -294.081
where: short stacking energy: -110.553
Base-Backbone interact. energy: -0.348
local terms energy: -124.527995
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -33.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -412.760076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.760076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.760076 (E_RNA)
where:
Base-Base interactions energy: -300.448
where: short stacking energy: -122.828
Base-Backbone interact. energy: -0.012
local terms energy: -112.300145
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -31.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -408.862760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.862760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.862760 (E_RNA)
where:
Base-Base interactions energy: -297.832
where: short stacking energy: -120.353
Base-Backbone interact. energy: -0.066
local terms energy: -110.964704
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -35.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -397.302203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.302203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.302203 (E_RNA)
where:
Base-Base interactions energy: -285.081
where: short stacking energy: -112.843
Base-Backbone interact. energy: -0.098
local terms energy: -112.123858
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -31.333
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: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -395.647194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.647194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.647194 (E_RNA)
where:
Base-Base interactions energy: -276.607
where: short stacking energy: -111.483
Base-Backbone interact. energy: -0.013
local terms energy: -119.027190
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -35.761
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: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -390.215288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.215288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.215288 (E_RNA)
where:
Base-Base interactions energy: -279.115
where: short stacking energy: -116.990
Base-Backbone interact. energy: -0.044
local terms energy: -111.056252
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -12.627
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: 407
Temperature: 1.200000
Total energy: -388.291741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.291741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.291741 (E_RNA)
where:
Base-Base interactions energy: -279.134
where: short stacking energy: -113.318
Base-Backbone interact. energy: -0.356
local terms energy: -108.801340
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -35.153
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: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -371.791800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.791800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.791800 (E_RNA)
where:
Base-Base interactions energy: -267.243
where: short stacking energy: -106.522
Base-Backbone interact. energy: 0.370
local terms energy: -104.918277
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -33.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -110.499248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.499248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.499248 (E_RNA)
where:
Base-Base interactions energy: -44.832
where: short stacking energy: -23.152
Base-Backbone interact. energy: -0.744
local terms energy: -64.922878
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: 4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -108.531025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.531025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.531025 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -35.034
Base-Backbone interact. energy: -0.224
local terms energy: -69.658148
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -425.364634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.364634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.364634 (E_RNA)
where:
Base-Base interactions energy: -300.331
where: short stacking energy: -122.560
Base-Backbone interact. energy: -0.004
local terms energy: -125.030161
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -26.660
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -34.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -413.770293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.770293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.770293 (E_RNA)
where:
Base-Base interactions energy: -296.808
where: short stacking energy: -119.402
Base-Backbone interact. energy: -0.097
local terms energy: -116.865685
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -31.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -410.236719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.236719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.236719 (E_RNA)
where:
Base-Base interactions energy: -290.297
where: short stacking energy: -117.192
Base-Backbone interact. energy: -0.255
local terms energy: -119.684281
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -32.576
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: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -414.141588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.141588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.141588 (E_RNA)
where:
Base-Base interactions energy: -287.010
where: short stacking energy: -123.559
Base-Backbone interact. energy: -0.392
local terms energy: -126.739863
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -36.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -391.654015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.654015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.654015 (E_RNA)
where:
Base-Base interactions energy: -275.966
where: short stacking energy: -115.930
Base-Backbone interact. energy: -0.765
local terms energy: -114.922464
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -35.230
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: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -389.162930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.162930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.162930 (E_RNA)
where:
Base-Base interactions energy: -279.236
where: short stacking energy: -114.129
Base-Backbone interact. energy: -0.012
local terms energy: -109.915548
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -33.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -387.713786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.713786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.713786 (E_RNA)
where:
Base-Base interactions energy: -278.377
where: short stacking energy: -109.081
Base-Backbone interact. energy: -0.006
local terms energy: -109.330868
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -32.347
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: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -353.009664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.009664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.009664 (E_RNA)
where:
Base-Base interactions energy: -237.397
where: short stacking energy: -102.863
Base-Backbone interact. energy: -0.009
local terms energy: -115.603539
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -29.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -163.915675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.915675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.915675 (E_RNA)
where:
Base-Base interactions energy: -83.746
where: short stacking energy: -52.591
Base-Backbone interact. energy: 0.028
local terms energy: -80.197982
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -5.358
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: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -96.190585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.190585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.190585 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -22.207
Base-Backbone interact. energy: -0.213
local terms energy: -60.201489
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: 11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -419.111644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.111644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.111644 (E_RNA)
where:
Base-Base interactions energy: -299.033
where: short stacking energy: -126.577
Base-Backbone interact. energy: 1.333
local terms energy: -121.411295
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -39.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -410.227628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.227628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.227628 (E_RNA)
where:
Base-Base interactions energy: -292.000
where: short stacking energy: -115.183
Base-Backbone interact. energy: -0.696
local terms energy: -117.531834
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -31.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -401.701973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.701973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.701973 (E_RNA)
where:
Base-Base interactions energy: -283.913
where: short stacking energy: -116.301
Base-Backbone interact. energy: -1.040
local terms energy: -116.748914
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -26.258
flat angles P-C4'-P energy: -18.043
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: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -409.338707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.338707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.338707 (E_RNA)
where:
Base-Base interactions energy: -294.618
where: short stacking energy: -118.206
Base-Backbone interact. energy: -0.002
local terms energy: -114.718701
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -37.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -408.263359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.263359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.263359 (E_RNA)
where:
Base-Base interactions energy: -286.630
where: short stacking energy: -120.287
Base-Backbone interact. energy: -0.042
local terms energy: -121.591498
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -36.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -397.895803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.895803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.895803 (E_RNA)
where:
Base-Base interactions energy: -271.140
where: short stacking energy: -113.968
Base-Backbone interact. energy: -0.159
local terms energy: -126.597042
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -35.645
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: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -393.181968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.181968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.181968 (E_RNA)
where:
Base-Base interactions energy: -279.308
where: short stacking energy: -123.308
Base-Backbone interact. energy: -0.002
local terms energy: -113.872014
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -34.164
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: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -323.886638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.886638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.886638 (E_RNA)
where:
Base-Base interactions energy: -213.836
where: short stacking energy: -96.319
Base-Backbone interact. energy: -0.086
local terms energy: -109.964905
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -154.579549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.579549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.579549 (E_RNA)
where:
Base-Base interactions energy: -84.674
where: short stacking energy: -40.127
Base-Backbone interact. energy: -0.626
local terms energy: -69.279719
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -15.481
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: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -117.700332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.700332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.700332 (E_RNA)
where:
Base-Base interactions energy: -46.841
where: short stacking energy: -43.524
Base-Backbone interact. energy: -0.453
local terms energy: -70.406804
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -414.039362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.039362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.039362 (E_RNA)
where:
Base-Base interactions energy: -293.638
where: short stacking energy: -126.020
Base-Backbone interact. energy: -0.032
local terms energy: -120.368897
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -34.007
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: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -416.429351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.429351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.429351 (E_RNA)
where:
Base-Base interactions energy: -293.191
where: short stacking energy: -124.647
Base-Backbone interact. energy: 0.337
local terms energy: -123.575624
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -35.936
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: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -408.113189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.113189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.113189 (E_RNA)
where:
Base-Base interactions energy: -285.167
where: short stacking energy: -122.111
Base-Backbone interact. energy: -0.006
local terms energy: -122.940214
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -35.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -417.788243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.788243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.788243 (E_RNA)
where:
Base-Base interactions energy: -292.646
where: short stacking energy: -120.066
Base-Backbone interact. energy: -0.045
local terms energy: -125.096836
where:
bonds (distance) C4'-P energy: -24.832
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -35.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -401.464178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.464178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.464178 (E_RNA)
where:
Base-Base interactions energy: -278.544
where: short stacking energy: -114.559
Base-Backbone interact. energy: -0.707
local terms energy: -122.213160
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -35.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -386.586602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.586602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.586602 (E_RNA)
where:
Base-Base interactions energy: -268.476
where: short stacking energy: -109.030
Base-Backbone interact. energy: -0.831
local terms energy: -117.279738
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -33.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -393.285724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.285724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.285724 (E_RNA)
where:
Base-Base interactions energy: -286.285
where: short stacking energy: -115.969
Base-Backbone interact. energy: -0.008
local terms energy: -106.992668
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -33.822
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: 410
Temperature: 1.250000
Total energy: -386.527298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.527298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.527298 (E_RNA)
where:
Base-Base interactions energy: -281.083
where: short stacking energy: -117.617
Base-Backbone interact. energy: -0.354
local terms energy: -105.090360
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -34.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -112.633563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.633563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.633563 (E_RNA)
where:
Base-Base interactions energy: -49.105
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.152
local terms energy: -63.375806
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -10.199
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: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -147.255677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.255677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.255677 (E_RNA)
where:
Base-Base interactions energy: -76.333
where: short stacking energy: -43.101
Base-Backbone interact. energy: 0.788
local terms energy: -71.710145
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -419.264189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.264189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.264189 (E_RNA)
where:
Base-Base interactions energy: -298.601
where: short stacking energy: -125.037
Base-Backbone interact. energy: -0.002
local terms energy: -120.661319
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -36.661
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: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -417.004134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.004134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.004134 (E_RNA)
where:
Base-Base interactions energy: -294.932
where: short stacking energy: -125.007
Base-Backbone interact. energy: -0.534
local terms energy: -121.538227
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -33.325
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: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -410.165311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.165311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.165311 (E_RNA)
where:
Base-Base interactions energy: -285.422
where: short stacking energy: -112.466
Base-Backbone interact. energy: -0.097
local terms energy: -124.646344
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -35.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -398.756523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.756523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.756523 (E_RNA)
where:
Base-Base interactions energy: -281.027
where: short stacking energy: -112.646
Base-Backbone interact. energy: -0.020
local terms energy: -117.709872
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -36.237
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: 411
Temperature: 1.100000
Total energy: -410.183987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.183987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.183987 (E_RNA)
where:
Base-Base interactions energy: -289.340
where: short stacking energy: -119.260
Base-Backbone interact. energy: -0.003
local terms energy: -120.840758
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -37.821
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: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -390.968714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.968714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.968714 (E_RNA)
where:
Base-Base interactions energy: -280.247
where: short stacking energy: -120.949
Base-Backbone interact. energy: -0.430
local terms energy: -110.292110
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -15.454
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: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -381.805286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.805286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.805286 (E_RNA)
where:
Base-Base interactions energy: -279.546
where: short stacking energy: -111.636
Base-Backbone interact. energy: -0.490
local terms energy: -101.769730
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -32.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -393.197463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.197463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.197463 (E_RNA)
where:
Base-Base interactions energy: -271.902
where: short stacking energy: -108.862
Base-Backbone interact. energy: -0.324
local terms energy: -120.972317
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -32.767
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: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -110.897184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.897184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.897184 (E_RNA)
where:
Base-Base interactions energy: -45.596
where: short stacking energy: -32.820
Base-Backbone interact. energy: 1.337
local terms energy: -66.638100
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -110.451206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.451206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.451206 (E_RNA)
where:
Base-Base interactions energy: -41.392
where: short stacking energy: -41.392
Base-Backbone interact. energy: -0.260
local terms energy: -68.799299
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -420.387742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.387742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.387742 (E_RNA)
where:
Base-Base interactions energy: -302.826
where: short stacking energy: -124.778
Base-Backbone interact. energy: -0.007
local terms energy: -117.555069
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -35.902
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: 412
Temperature: 0.950000
Total energy: -412.562978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.562978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.562978 (E_RNA)
where:
Base-Base interactions energy: -293.665
where: short stacking energy: -124.381
Base-Backbone interact. energy: -0.003
local terms energy: -118.895645
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -35.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -412.111977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.111977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.111977 (E_RNA)
where:
Base-Base interactions energy: -288.662
where: short stacking energy: -118.934
Base-Backbone interact. energy: -0.290
local terms energy: -123.160618
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -39.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -410.664863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.664863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.664863 (E_RNA)
where:
Base-Base interactions energy: -287.959
where: short stacking energy: -125.895
Base-Backbone interact. energy: -0.006
local terms energy: -122.700648
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -35.726
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: 412
Temperature: 1.100000
Total energy: -395.053227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.053227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.053227 (E_RNA)
where:
Base-Base interactions energy: -284.477
where: short stacking energy: -116.745
Base-Backbone interact. energy: -0.797
local terms energy: -109.779376
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -36.456
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: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -391.134824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.134824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.134824 (E_RNA)
where:
Base-Base interactions energy: -275.368
where: short stacking energy: -113.665
Base-Backbone interact. energy: -0.217
local terms energy: -115.549732
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -34.213
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -390.953369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.953369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.953369 (E_RNA)
where:
Base-Base interactions energy: -283.788
where: short stacking energy: -118.837
Base-Backbone interact. energy: 1.802
local terms energy: -108.966863
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -34.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -380.334388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.334388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.334388 (E_RNA)
where:
Base-Base interactions energy: -277.238
where: short stacking energy: -111.494
Base-Backbone interact. energy: -0.004
local terms energy: -103.092811
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -32.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -108.116663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.116663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.116663 (E_RNA)
where:
Base-Base interactions energy: -44.835
where: short stacking energy: -39.445
Base-Backbone interact. energy: 2.899
local terms energy: -66.180922
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -4.351
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: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -101.830906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.830906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.830906 (E_RNA)
where:
Base-Base interactions energy: -36.706
where: short stacking energy: -27.826
Base-Backbone interact. energy: -0.971
local terms energy: -64.153454
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: 1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -422.648889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.648889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.648889 (E_RNA)
where:
Base-Base interactions energy: -296.060
where: short stacking energy: -124.009
Base-Backbone interact. energy: -0.009
local terms energy: -126.579355
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -38.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -412.101335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.101335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.101335 (E_RNA)
where:
Base-Base interactions energy: -289.594
where: short stacking energy: -123.678
Base-Backbone interact. energy: -0.002
local terms energy: -122.505490
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -35.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -410.622287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.622287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.622287 (E_RNA)
where:
Base-Base interactions energy: -289.808
where: short stacking energy: -120.450
Base-Backbone interact. energy: -0.001
local terms energy: -120.813382
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -37.207
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: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -404.355891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.355891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.355891 (E_RNA)
where:
Base-Base interactions energy: -282.677
where: short stacking energy: -111.570
Base-Backbone interact. energy: -1.166
local terms energy: -120.512342
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -34.615
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: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -401.537278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.537278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.537278 (E_RNA)
where:
Base-Base interactions energy: -280.058
where: short stacking energy: -112.271
Base-Backbone interact. energy: -0.005
local terms energy: -121.473747
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -37.270
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: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -391.259570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.259570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.259570 (E_RNA)
where:
Base-Base interactions energy: -273.939
where: short stacking energy: -110.185
Base-Backbone interact. energy: -0.046
local terms energy: -117.274461
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -34.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -381.931325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.931325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.931325 (E_RNA)
where:
Base-Base interactions energy: -274.217
where: short stacking energy: -112.123
Base-Backbone interact. energy: -0.500
local terms energy: -107.214270
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -34.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -386.531012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.531012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.531012 (E_RNA)
where:
Base-Base interactions energy: -278.239
where: short stacking energy: -116.500
Base-Backbone interact. energy: -0.005
local terms energy: -108.286534
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -98.047280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.047280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.047280 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -20.171
Base-Backbone interact. energy: -0.079
local terms energy: -64.343991
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: 2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -111.704530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.704530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.704530 (E_RNA)
where:
Base-Base interactions energy: -49.147
where: short stacking energy: -30.606
Base-Backbone interact. energy: -0.498
local terms energy: -62.059528
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: 2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -421.946692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.946692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.946692 (E_RNA)
where:
Base-Base interactions energy: -300.599
where: short stacking energy: -122.970
Base-Backbone interact. energy: -0.002
local terms energy: -121.346265
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -36.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -412.208236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.208236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.208236 (E_RNA)
where:
Base-Base interactions energy: -287.820
where: short stacking energy: -117.133
Base-Backbone interact. energy: -0.472
local terms energy: -123.916186
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -20.273
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: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -409.090243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.090243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.090243 (E_RNA)
where:
Base-Base interactions energy: -299.724
where: short stacking energy: -125.164
Base-Backbone interact. energy: -0.010
local terms energy: -109.355525
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -36.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -401.447325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.447325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.447325 (E_RNA)
where:
Base-Base interactions energy: -290.658
where: short stacking energy: -118.726
Base-Backbone interact. energy: -0.426
local terms energy: -110.363292
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -34.722
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -411.627043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.627043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.627043 (E_RNA)
where:
Base-Base interactions energy: -292.670
where: short stacking energy: -123.327
Base-Backbone interact. energy: 0.152
local terms energy: -119.108516
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -17.715
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: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -385.874710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.874710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.874710 (E_RNA)
where:
Base-Base interactions energy: -269.211
where: short stacking energy: -103.710
Base-Backbone interact. energy: -0.125
local terms energy: -116.538432
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -33.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -384.206988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.206988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.206988 (E_RNA)
where:
Base-Base interactions energy: -274.585
where: short stacking energy: -112.797
Base-Backbone interact. energy: -0.012
local terms energy: -109.610610
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -32.457
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: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -383.971351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.971351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.971351 (E_RNA)
where:
Base-Base interactions energy: -283.430
where: short stacking energy: -124.710
Base-Backbone interact. energy: -0.002
local terms energy: -100.540126
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -34.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -111.377058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.377058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.377058 (E_RNA)
where:
Base-Base interactions energy: -38.105
where: short stacking energy: -37.945
Base-Backbone interact. energy: 0.384
local terms energy: -73.656453
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -104.886285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.886285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.886285 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -26.393
Base-Backbone interact. energy: -1.257
local terms energy: -64.861810
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: 0.152
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: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -420.363364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.363364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.363364 (E_RNA)
where:
Base-Base interactions energy: -294.266
where: short stacking energy: -121.093
Base-Backbone interact. energy: -0.001
local terms energy: -126.096452
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -35.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -420.573518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.573518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.573518 (E_RNA)
where:
Base-Base interactions energy: -298.641
where: short stacking energy: -119.116
Base-Backbone interact. energy: -0.106
local terms energy: -121.826968
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -33.696
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: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -411.161145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.161145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.161145 (E_RNA)
where:
Base-Base interactions energy: -283.771
where: short stacking energy: -122.200
Base-Backbone interact. energy: -0.224
local terms energy: -127.165859
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -34.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -410.385475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.385475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.385475 (E_RNA)
where:
Base-Base interactions energy: -294.263
where: short stacking energy: -125.182
Base-Backbone interact. energy: -0.007
local terms energy: -116.115446
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -35.565
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: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -398.876404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.876404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.876404 (E_RNA)
where:
Base-Base interactions energy: -276.230
where: short stacking energy: -110.786
Base-Backbone interact. energy: -0.529
local terms energy: -122.117360
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -26.173
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -35.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -390.059329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.059329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.059329 (E_RNA)
where:
Base-Base interactions energy: -275.243
where: short stacking energy: -111.087
Base-Backbone interact. energy: -0.329
local terms energy: -114.487483
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -32.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -388.836749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.836749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.836749 (E_RNA)
where:
Base-Base interactions energy: -277.253
where: short stacking energy: -111.289
Base-Backbone interact. energy: -0.580
local terms energy: -111.003594
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -33.761
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: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -396.242707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.242707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.242707 (E_RNA)
where:
Base-Base interactions energy: -282.025
where: short stacking energy: -117.857
Base-Backbone interact. energy: -0.004
local terms energy: -114.214086
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -16.299
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: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -125.656161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.656161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.656161 (E_RNA)
where:
Base-Base interactions energy: -45.402
where: short stacking energy: -40.054
Base-Backbone interact. energy: -0.686
local terms energy: -79.568640
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -11.031
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -114.235223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.235223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.235223 (E_RNA)
where:
Base-Base interactions energy: -44.736
where: short stacking energy: -37.039
Base-Backbone interact. energy: -0.929
local terms energy: -68.569751
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -25.218
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: 1.407
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -425.163414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.163414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.163414 (E_RNA)
where:
Base-Base interactions energy: -299.077
where: short stacking energy: -119.969
Base-Backbone interact. energy: -0.001
local terms energy: -126.084701
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -38.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -414.693097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.693097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.693097 (E_RNA)
where:
Base-Base interactions energy: -286.917
where: short stacking energy: -115.793
Base-Backbone interact. energy: -0.023
local terms energy: -127.753181
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -36.190
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: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -416.636046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.636046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.636046 (E_RNA)
where:
Base-Base interactions energy: -291.154
where: short stacking energy: -121.169
Base-Backbone interact. energy: -0.011
local terms energy: -125.471373
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -36.687
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: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -407.642244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.642244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.642244 (E_RNA)
where:
Base-Base interactions energy: -284.260
where: short stacking energy: -125.229
Base-Backbone interact. energy: -0.124
local terms energy: -123.257409
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -34.952
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: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -400.948833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.948833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.948833 (E_RNA)
where:
Base-Base interactions energy: -291.950
where: short stacking energy: -119.872
Base-Backbone interact. energy: -0.062
local terms energy: -108.936495
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -34.330
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: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -391.349685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.349685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.349685 (E_RNA)
where:
Base-Base interactions energy: -275.927
where: short stacking energy: -116.172
Base-Backbone interact. energy: -0.221
local terms energy: -115.201861
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -35.939
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: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -380.735596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.735596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.735596 (E_RNA)
where:
Base-Base interactions energy: -272.418
where: short stacking energy: -109.543
Base-Backbone interact. energy: -0.094
local terms energy: -108.223903
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -31.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -355.918800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.918800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.918800 (E_RNA)
where:
Base-Base interactions energy: -260.294
where: short stacking energy: -103.888
Base-Backbone interact. energy: 1.407
local terms energy: -97.031741
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -30.362
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: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -113.950939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.950939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.950939 (E_RNA)
where:
Base-Base interactions energy: -43.628
where: short stacking energy: -39.407
Base-Backbone interact. energy: 0.969
local terms energy: -71.291740
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -177.398729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.398729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.398729 (E_RNA)
where:
Base-Base interactions energy: -110.058
where: short stacking energy: -49.848
Base-Backbone interact. energy: 1.674
local terms energy: -69.015124
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -424.372169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.372169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.372169 (E_RNA)
where:
Base-Base interactions energy: -301.400
where: short stacking energy: -124.273
Base-Backbone interact. energy: -0.338
local terms energy: -122.634246
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -36.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -421.846524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.846524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.846524 (E_RNA)
where:
Base-Base interactions energy: -301.415
where: short stacking energy: -127.427
Base-Backbone interact. energy: -0.005
local terms energy: -120.426411
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -38.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -404.241369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.241369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.241369 (E_RNA)
where:
Base-Base interactions energy: -292.509
where: short stacking energy: -117.794
Base-Backbone interact. energy: -0.007
local terms energy: -111.724807
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -33.589
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: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -406.036199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.036199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.036199 (E_RNA)
where:
Base-Base interactions energy: -285.184
where: short stacking energy: -118.583
Base-Backbone interact. energy: -0.003
local terms energy: -120.849490
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -37.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -388.100308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.100308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.100308 (E_RNA)
where:
Base-Base interactions energy: -278.314
where: short stacking energy: -108.827
Base-Backbone interact. energy: -0.036
local terms energy: -109.749916
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -31.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -383.212570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.212570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.212570 (E_RNA)
where:
Base-Base interactions energy: -271.634
where: short stacking energy: -106.720
Base-Backbone interact. energy: -0.075
local terms energy: -111.503800
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -30.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -386.305045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.305045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.305045 (E_RNA)
where:
Base-Base interactions energy: -270.770
where: short stacking energy: -108.982
Base-Backbone interact. energy: 0.479
local terms energy: -116.014609
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -31.509
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: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -368.902788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.902788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.902788 (E_RNA)
where:
Base-Base interactions energy: -267.825
where: short stacking energy: -110.834
Base-Backbone interact. energy: -0.060
local terms energy: -101.018087
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -34.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -122.841004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.841004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.841004 (E_RNA)
where:
Base-Base interactions energy: -52.882
where: short stacking energy: -37.973
Base-Backbone interact. energy: 0.872
local terms energy: -70.830843
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -208.417891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.417891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.417891 (E_RNA)
where:
Base-Base interactions energy: -131.021
where: short stacking energy: -67.612
Base-Backbone interact. energy: -0.144
local terms energy: -77.252815
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -427.581572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.581572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.581572 (E_RNA)
where:
Base-Base interactions energy: -300.152
where: short stacking energy: -125.610
Base-Backbone interact. energy: -0.006
local terms energy: -127.423924
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -36.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -414.254814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.254814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.254814 (E_RNA)
where:
Base-Base interactions energy: -297.871
where: short stacking energy: -119.763
Base-Backbone interact. energy: -0.011
local terms energy: -116.373682
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -36.726
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: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -417.321545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.321545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.321545 (E_RNA)
where:
Base-Base interactions energy: -292.593
where: short stacking energy: -115.698
Base-Backbone interact. energy: -0.615
local terms energy: -124.114021
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -35.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -400.066104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.066104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.066104 (E_RNA)
where:
Base-Base interactions energy: -284.849
where: short stacking energy: -113.116
Base-Backbone interact. energy: -0.003
local terms energy: -115.213920
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -33.855
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: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -396.528004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.528004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.528004 (E_RNA)
where:
Base-Base interactions energy: -280.893
where: short stacking energy: -115.122
Base-Backbone interact. energy: -0.005
local terms energy: -115.629868
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -32.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -385.131151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.131151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.131151 (E_RNA)
where:
Base-Base interactions energy: -271.598
where: short stacking energy: -105.184
Base-Backbone interact. energy: -0.764
local terms energy: -112.768761
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -33.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -395.985347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.985347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.985347 (E_RNA)
where:
Base-Base interactions energy: -275.721
where: short stacking energy: -116.682
Base-Backbone interact. energy: -0.700
local terms energy: -119.564309
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -36.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -354.845059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.845059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.845059 (E_RNA)
where:
Base-Base interactions energy: -253.620
where: short stacking energy: -105.439
Base-Backbone interact. energy: -0.506
local terms energy: -100.718501
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -27.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -193.994906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.994906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.994906 (E_RNA)
where:
Base-Base interactions energy: -113.544
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.504
local terms energy: -79.947548
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -10.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -107.743756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.743756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.743756 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.500
local terms energy: -60.129239
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -419.881930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.881930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.881930 (E_RNA)
where:
Base-Base interactions energy: -297.890
where: short stacking energy: -121.235
Base-Backbone interact. energy: -0.001
local terms energy: -121.990522
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -35.982
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: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -412.847966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.847966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.847966 (E_RNA)
where:
Base-Base interactions energy: -291.357
where: short stacking energy: -118.501
Base-Backbone interact. energy: -0.509
local terms energy: -120.981858
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -34.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -412.127490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.127490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.127490 (E_RNA)
where:
Base-Base interactions energy: -294.403
where: short stacking energy: -121.571
Base-Backbone interact. energy: -0.006
local terms energy: -117.718624
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -32.913
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: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -403.530034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.530034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.530034 (E_RNA)
where:
Base-Base interactions energy: -295.875
where: short stacking energy: -117.137
Base-Backbone interact. energy: -0.416
local terms energy: -107.239085
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -35.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -396.556349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.556349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.556349 (E_RNA)
where:
Base-Base interactions energy: -288.666
where: short stacking energy: -114.548
Base-Backbone interact. energy: 0.496
local terms energy: -108.386591
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -32.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -401.609470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.609470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.609470 (E_RNA)
where:
Base-Base interactions energy: -284.126
where: short stacking energy: -119.676
Base-Backbone interact. energy: -0.048
local terms energy: -117.435303
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -38.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -381.033231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.033231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.033231 (E_RNA)
where:
Base-Base interactions energy: -271.293
where: short stacking energy: -115.395
Base-Backbone interact. energy: -0.003
local terms energy: -109.737284
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -35.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -388.476845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.476845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.476845 (E_RNA)
where:
Base-Base interactions energy: -276.655
where: short stacking energy: -108.249
Base-Backbone interact. energy: -0.280
local terms energy: -111.541805
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -33.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -103.534676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.534676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.534676 (E_RNA)
where:
Base-Base interactions energy: -52.995
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.872
local terms energy: -49.668084
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: 4.163
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: 419
Temperature: 1.350000
Total energy: -115.985144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.985144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.985144 (E_RNA)
where:
Base-Base interactions energy: -46.130
where: short stacking energy: -41.916
Base-Backbone interact. energy: -0.119
local terms energy: -69.736595
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -424.040164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.040164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.040164 (E_RNA)
where:
Base-Base interactions energy: -298.395
where: short stacking energy: -125.152
Base-Backbone interact. energy: -0.280
local terms energy: -125.364428
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: -37.634
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: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -421.062150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.062150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.062150 (E_RNA)
where:
Base-Base interactions energy: -294.461
where: short stacking energy: -118.276
Base-Backbone interact. energy: -0.157
local terms energy: -126.443648
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -35.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -400.591696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.591696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.591696 (E_RNA)
where:
Base-Base interactions energy: -287.164
where: short stacking energy: -115.272
Base-Backbone interact. energy: -0.512
local terms energy: -112.915728
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -37.015
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: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -408.881671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.881671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.881671 (E_RNA)
where:
Base-Base interactions energy: -293.769
where: short stacking energy: -117.624
Base-Backbone interact. energy: -0.255
local terms energy: -114.856904
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -34.422
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: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -396.335699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.335699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.335699 (E_RNA)
where:
Base-Base interactions energy: -282.692
where: short stacking energy: -115.666
Base-Backbone interact. energy: -0.173
local terms energy: -113.470451
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -32.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -387.879922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.879922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.879922 (E_RNA)
where:
Base-Base interactions energy: -279.975
where: short stacking energy: -110.825
Base-Backbone interact. energy: -0.029
local terms energy: -107.875597
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -33.993
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: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -387.418449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.418449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.418449 (E_RNA)
where:
Base-Base interactions energy: -280.293
where: short stacking energy: -114.014
Base-Backbone interact. energy: 1.366
local terms energy: -108.492126
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -33.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -384.599166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.599166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.599166 (E_RNA)
where:
Base-Base interactions energy: -270.077
where: short stacking energy: -117.186
Base-Backbone interact. energy: -0.010
local terms energy: -114.512532
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -33.692
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: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -108.966239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.966239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.966239 (E_RNA)
where:
Base-Base interactions energy: -43.518
where: short stacking energy: -38.219
Base-Backbone interact. energy: -0.227
local terms energy: -65.221525
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: 0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -107.412447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.412447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.412447 (E_RNA)
where:
Base-Base interactions energy: -47.944
where: short stacking energy: -34.151
Base-Backbone interact. energy: 4.357
local terms energy: -63.825310
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -2.794
tors. eta vs tors. theta energy: 3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -425.635835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.635835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.635835 (E_RNA)
where:
Base-Base interactions energy: -299.484
where: short stacking energy: -120.820
Base-Backbone interact. energy: -0.005
local terms energy: -126.146667
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -34.600
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: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -411.430504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.430504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.430504 (E_RNA)
where:
Base-Base interactions energy: -293.381
where: short stacking energy: -116.660
Base-Backbone interact. energy: -0.042
local terms energy: -118.008167
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -34.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -409.499499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.499499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.499499 (E_RNA)
where:
Base-Base interactions energy: -288.551
where: short stacking energy: -117.629
Base-Backbone interact. energy: -0.314
local terms energy: -120.634655
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -38.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -406.823813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.823813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.823813 (E_RNA)
where:
Base-Base interactions energy: -281.211
where: short stacking energy: -115.740
Base-Backbone interact. energy: -0.034
local terms energy: -125.578239
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -34.736
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: 421
Temperature: 1.100000
Total energy: -399.603150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.603150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.603150 (E_RNA)
where:
Base-Base interactions energy: -280.960
where: short stacking energy: -113.218
Base-Backbone interact. energy: -0.008
local terms energy: -118.635267
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -33.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -388.038336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.038336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.038336 (E_RNA)
where:
Base-Base interactions energy: -277.664
where: short stacking energy: -118.259
Base-Backbone interact. energy: -0.550
local terms energy: -109.824652
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -35.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -380.907653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.907653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.907653 (E_RNA)
where:
Base-Base interactions energy: -261.737
where: short stacking energy: -106.566
Base-Backbone interact. energy: -0.882
local terms energy: -118.289101
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -32.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -388.725373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.725373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.725373 (E_RNA)
where:
Base-Base interactions energy: -280.881
where: short stacking energy: -118.632
Base-Backbone interact. energy: -0.578
local terms energy: -107.266337
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -37.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -125.184420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.184420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.184420 (E_RNA)
where:
Base-Base interactions energy: -54.047
where: short stacking energy: -21.649
Base-Backbone interact. energy: 1.840
local terms energy: -72.976638
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -12.661
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: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -106.964278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.964278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.964278 (E_RNA)
where:
Base-Base interactions energy: -39.306
where: short stacking energy: -26.369
Base-Backbone interact. energy: -0.462
local terms energy: -67.196017
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -15.134
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: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -417.793902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.793902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.793902 (E_RNA)
where:
Base-Base interactions energy: -300.745
where: short stacking energy: -123.576
Base-Backbone interact. energy: -0.005
local terms energy: -117.044303
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -413.716416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.716416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.716416 (E_RNA)
where:
Base-Base interactions energy: -286.544
where: short stacking energy: -118.046
Base-Backbone interact. energy: -0.835
local terms energy: -126.336841
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -38.431
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: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -407.137291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.137291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.137291 (E_RNA)
where:
Base-Base interactions energy: -289.157
where: short stacking energy: -121.470
Base-Backbone interact. energy: -0.001
local terms energy: -117.978888
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -36.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -405.454469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.454469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.454469 (E_RNA)
where:
Base-Base interactions energy: -290.773
where: short stacking energy: -117.505
Base-Backbone interact. energy: -0.005
local terms energy: -114.676352
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -38.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -404.737922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.737922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.737922 (E_RNA)
where:
Base-Base interactions energy: -294.150
where: short stacking energy: -120.859
Base-Backbone interact. energy: -0.293
local terms energy: -110.294785
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -35.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -397.084421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.084421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.084421 (E_RNA)
where:
Base-Base interactions energy: -285.879
where: short stacking energy: -119.966
Base-Backbone interact. energy: -0.286
local terms energy: -110.919854
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -35.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -379.632444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.632444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.632444 (E_RNA)
where:
Base-Base interactions energy: -272.899
where: short stacking energy: -109.669
Base-Backbone interact. energy: -0.177
local terms energy: -106.557097
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -29.303
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: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -380.851081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.851081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.851081 (E_RNA)
where:
Base-Base interactions energy: -274.757
where: short stacking energy: -106.783
Base-Backbone interact. energy: -0.002
local terms energy: -106.091902
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -36.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -113.962463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.962463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.962463 (E_RNA)
where:
Base-Base interactions energy: -52.806
where: short stacking energy: -31.152
Base-Backbone interact. energy: 1.980
local terms energy: -63.136060
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: 0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -109.202550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.202550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.202550 (E_RNA)
where:
Base-Base interactions energy: -38.307
where: short stacking energy: -37.642
Base-Backbone interact. energy: -1.047
local terms energy: -69.848336
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -426.626653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.626653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.626653 (E_RNA)
where:
Base-Base interactions energy: -298.267
where: short stacking energy: -123.520
Base-Backbone interact. energy: -0.001
local terms energy: -128.359487
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -37.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -421.976914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.976914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.976914 (E_RNA)
where:
Base-Base interactions energy: -300.023
where: short stacking energy: -123.419
Base-Backbone interact. energy: -0.150
local terms energy: -121.803748
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -38.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -407.596538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.596538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.596538 (E_RNA)
where:
Base-Base interactions energy: -288.824
where: short stacking energy: -114.090
Base-Backbone interact. energy: -0.039
local terms energy: -118.733824
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -22.410
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -34.389
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: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -409.711655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.711655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.711655 (E_RNA)
where:
Base-Base interactions energy: -286.271
where: short stacking energy: -119.844
Base-Backbone interact. energy: -0.001
local terms energy: -123.439680
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -35.255
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: 423
Temperature: 1.100000
Total energy: -396.797978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.797978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.797978 (E_RNA)
where:
Base-Base interactions energy: -281.612
where: short stacking energy: -109.738
Base-Backbone interact. energy: -0.007
local terms energy: -115.179386
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -33.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -385.077581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.077581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.077581 (E_RNA)
where:
Base-Base interactions energy: -279.356
where: short stacking energy: -117.990
Base-Backbone interact. energy: -0.546
local terms energy: -105.175157
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -390.951791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.951791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.951791 (E_RNA)
where:
Base-Base interactions energy: -278.924
where: short stacking energy: -108.824
Base-Backbone interact. energy: -0.004
local terms energy: -112.024329
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -12.855
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: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -386.992726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.992726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.992726 (E_RNA)
where:
Base-Base interactions energy: -276.102
where: short stacking energy: -110.876
Base-Backbone interact. energy: -0.163
local terms energy: -110.727429
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -33.827
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: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -114.335279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.335279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.335279 (E_RNA)
where:
Base-Base interactions energy: -42.081
where: short stacking energy: -23.306
Base-Backbone interact. energy: -1.602
local terms energy: -70.652277
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -6.559
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: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -115.914259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.914259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.914259 (E_RNA)
where:
Base-Base interactions energy: -40.968
where: short stacking energy: -40.835
Base-Backbone interact. energy: -0.073
local terms energy: -74.872912
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: 0.143
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: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -420.912454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.912454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.912454 (E_RNA)
where:
Base-Base interactions energy: -293.997
where: short stacking energy: -115.898
Base-Backbone interact. energy: -0.556
local terms energy: -126.359655
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -37.589
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: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -417.304338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.304338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.304338 (E_RNA)
where:
Base-Base interactions energy: -287.707
where: short stacking energy: -114.547
Base-Backbone interact. energy: -0.006
local terms energy: -129.591213
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -35.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -408.312383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.312383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.312383 (E_RNA)
where:
Base-Base interactions energy: -290.457
where: short stacking energy: -120.404
Base-Backbone interact. energy: -0.005
local terms energy: -117.850464
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -34.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -397.916633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.916633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.916633 (E_RNA)
where:
Base-Base interactions energy: -281.715
where: short stacking energy: -114.666
Base-Backbone interact. energy: -0.181
local terms energy: -116.020130
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -36.314
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: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -407.393919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.393919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.393919 (E_RNA)
where:
Base-Base interactions energy: -278.600
where: short stacking energy: -114.958
Base-Backbone interact. energy: -0.002
local terms energy: -128.791881
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -18.561
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: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -404.005911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.005911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.005911 (E_RNA)
where:
Base-Base interactions energy: -287.436
where: short stacking energy: -107.830
Base-Backbone interact. energy: -0.162
local terms energy: -116.408795
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -33.514
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: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -393.729110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.729110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.729110 (E_RNA)
where:
Base-Base interactions energy: -286.289
where: short stacking energy: -114.591
Base-Backbone interact. energy: -0.149
local terms energy: -107.291233
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -34.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -385.107171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.107171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.107171 (E_RNA)
where:
Base-Base interactions energy: -278.550
where: short stacking energy: -110.576
Base-Backbone interact. energy: -1.013
local terms energy: -105.543488
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -29.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -134.027933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.027933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.027933 (E_RNA)
where:
Base-Base interactions energy: -52.084
where: short stacking energy: -49.786
Base-Backbone interact. energy: -0.140
local terms energy: -81.804193
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -107.367105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.367105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.367105 (E_RNA)
where:
Base-Base interactions energy: -34.465
where: short stacking energy: -29.728
Base-Backbone interact. energy: 0.025
local terms energy: -72.927409
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: 1.713
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: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -424.505461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.505461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.505461 (E_RNA)
where:
Base-Base interactions energy: -300.650
where: short stacking energy: -126.814
Base-Backbone interact. energy: -0.433
local terms energy: -123.421982
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -36.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -412.978915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.978915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.978915 (E_RNA)
where:
Base-Base interactions energy: -289.043
where: short stacking energy: -116.333
Base-Backbone interact. energy: -0.173
local terms energy: -123.763162
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -36.050
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: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -415.966640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.966640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.966640 (E_RNA)
where:
Base-Base interactions energy: -297.534
where: short stacking energy: -124.518
Base-Backbone interact. energy: -0.580
local terms energy: -117.852805
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -26.655
flat angles P-C4'-P energy: -20.834
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: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -408.406186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.406186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.406186 (E_RNA)
where:
Base-Base interactions energy: -280.149
where: short stacking energy: -117.762
Base-Backbone interact. energy: -0.420
local terms energy: -127.836840
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -34.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -397.808738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.808738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.808738 (E_RNA)
where:
Base-Base interactions energy: -288.806
where: short stacking energy: -113.114
Base-Backbone interact. energy: -0.007
local terms energy: -108.995100
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -34.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -392.881664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.881664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.881664 (E_RNA)
where:
Base-Base interactions energy: -281.131
where: short stacking energy: -114.120
Base-Backbone interact. energy: -0.002
local terms energy: -111.748235
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -36.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -387.045605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.045605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.045605 (E_RNA)
where:
Base-Base interactions energy: -279.143
where: short stacking energy: -110.124
Base-Backbone interact. energy: -0.033
local terms energy: -107.870332
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -33.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -374.744364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.744364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.744364 (E_RNA)
where:
Base-Base interactions energy: -263.991
where: short stacking energy: -111.031
Base-Backbone interact. energy: -0.016
local terms energy: -110.736914
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -113.243900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.243900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.243900 (E_RNA)
where:
Base-Base interactions energy: -41.849
where: short stacking energy: -32.184
Base-Backbone interact. energy: 0.816
local terms energy: -72.211065
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -97.400602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.400602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.400602 (E_RNA)
where:
Base-Base interactions energy: -32.527
where: short stacking energy: -28.493
Base-Backbone interact. energy: -0.491
local terms energy: -64.382561
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: 2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -420.866477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.866477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.866477 (E_RNA)
where:
Base-Base interactions energy: -296.821
where: short stacking energy: -119.905
Base-Backbone interact. energy: -0.372
local terms energy: -123.673396
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -37.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -417.708327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.708327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.708327 (E_RNA)
where:
Base-Base interactions energy: -290.648
where: short stacking energy: -118.999
Base-Backbone interact. energy: -0.006
local terms energy: -127.054119
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -411.911972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.911972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.911972 (E_RNA)
where:
Base-Base interactions energy: -291.787
where: short stacking energy: -123.947
Base-Backbone interact. energy: -0.002
local terms energy: -120.123234
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -21.031
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: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -407.836185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.836185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.836185 (E_RNA)
where:
Base-Base interactions energy: -288.765
where: short stacking energy: -113.847
Base-Backbone interact. energy: -0.607
local terms energy: -118.463774
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -17.941
tors. eta vs tors. theta energy: -34.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -396.514702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.514702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.514702 (E_RNA)
where:
Base-Base interactions energy: -276.694
where: short stacking energy: -112.770
Base-Backbone interact. energy: -0.002
local terms energy: -119.817780
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -35.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -405.032533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.032533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.032533 (E_RNA)
where:
Base-Base interactions energy: -286.251
where: short stacking energy: -119.307
Base-Backbone interact. energy: -0.218
local terms energy: -118.562903
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -34.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -388.181348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.181348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.181348 (E_RNA)
where:
Base-Base interactions energy: -272.002
where: short stacking energy: -110.453
Base-Backbone interact. energy: -0.249
local terms energy: -115.929579
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -33.685
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: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -388.301280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.301280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.301280 (E_RNA)
where:
Base-Base interactions energy: -278.573
where: short stacking energy: -113.337
Base-Backbone interact. energy: -0.382
local terms energy: -109.346490
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -13.711
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: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -103.286156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.286156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.286156 (E_RNA)
where:
Base-Base interactions energy: -31.543
where: short stacking energy: -31.543
Base-Backbone interact. energy: -0.652
local terms energy: -71.090737
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -113.323154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.323154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.323154 (E_RNA)
where:
Base-Base interactions energy: -54.171
where: short stacking energy: -40.199
Base-Backbone interact. energy: -0.222
local terms energy: -58.930370
where:
bonds (distance) C4'-P energy: 0.918
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -422.058262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.058262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.058262 (E_RNA)
where:
Base-Base interactions energy: -292.844
where: short stacking energy: -122.413
Base-Backbone interact. energy: -0.122
local terms energy: -129.092099
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -26.575
flat angles P-C4'-P energy: -19.603
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: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -416.769102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.769102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.769102 (E_RNA)
where:
Base-Base interactions energy: -292.543
where: short stacking energy: -121.265
Base-Backbone interact. energy: -0.006
local terms energy: -124.220397
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -38.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -410.252296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.252296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.252296 (E_RNA)
where:
Base-Base interactions energy: -284.566
where: short stacking energy: -114.634
Base-Backbone interact. energy: -0.571
local terms energy: -125.114853
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -37.180
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: 4, replica: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -407.295073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.295073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.295073 (E_RNA)
where:
Base-Base interactions energy: -288.858
where: short stacking energy: -119.281
Base-Backbone interact. energy: -0.042
local terms energy: -118.394555
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -35.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -395.237687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.237687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.237687 (E_RNA)
where:
Base-Base interactions energy: -281.627
where: short stacking energy: -120.941
Base-Backbone interact. energy: -0.028
local terms energy: -113.582164
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -34.207
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: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -393.437201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.437201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.437201 (E_RNA)
where:
Base-Base interactions energy: -282.663
where: short stacking energy: -118.592
Base-Backbone interact. energy: -0.604
local terms energy: -110.170240
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -35.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -384.564942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.564942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.564942 (E_RNA)
where:
Base-Base interactions energy: -266.632
where: short stacking energy: -103.412
Base-Backbone interact. energy: 0.813
local terms energy: -118.745886
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -33.784
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: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -378.371338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.371338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.371338 (E_RNA)
where:
Base-Base interactions energy: -275.515
where: short stacking energy: -111.187
Base-Backbone interact. energy: -0.085
local terms energy: -102.770912
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -11.602
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: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -115.874834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.874834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.874834 (E_RNA)
where:
Base-Base interactions energy: -54.135
where: short stacking energy: -49.531
Base-Backbone interact. energy: -0.232
local terms energy: -61.507126
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -8.641
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: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -111.134691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.134691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.134691 (E_RNA)
where:
Base-Base interactions energy: -48.300
where: short stacking energy: -40.732
Base-Backbone interact. energy: -0.441
local terms energy: -62.393444
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -1.555
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: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -418.676185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.676185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.676185 (E_RNA)
where:
Base-Base interactions energy: -297.394
where: short stacking energy: -122.220
Base-Backbone interact. energy: -0.937
local terms energy: -120.345716
where:
bonds (distance) C4'-P energy: -26.000
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -35.789
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: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -421.849352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.849352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.849352 (E_RNA)
where:
Base-Base interactions energy: -301.096
where: short stacking energy: -122.055
Base-Backbone interact. energy: -0.043
local terms energy: -120.710895
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -36.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -402.035886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.035886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.035886 (E_RNA)
where:
Base-Base interactions energy: -297.055
where: short stacking energy: -126.603
Base-Backbone interact. energy: -0.002
local terms energy: -104.978738
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -34.388
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: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -402.122598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.122598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.122598 (E_RNA)
where:
Base-Base interactions energy: -289.803
where: short stacking energy: -116.874
Base-Backbone interact. energy: -0.293
local terms energy: -112.026571
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -34.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -407.820004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.820004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.820004 (E_RNA)
where:
Base-Base interactions energy: -288.473
where: short stacking energy: -114.805
Base-Backbone interact. energy: -0.014
local terms energy: -119.333058
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -35.995
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: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -379.035658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.035658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.035658 (E_RNA)
where:
Base-Base interactions energy: -271.978
where: short stacking energy: -109.263
Base-Backbone interact. energy: 0.878
local terms energy: -107.935438
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -31.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -386.371491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.371491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.371491 (E_RNA)
where:
Base-Base interactions energy: -273.575
where: short stacking energy: -110.823
Base-Backbone interact. energy: 0.008
local terms energy: -112.803854
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -33.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -387.045066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.045066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.045066 (E_RNA)
where:
Base-Base interactions energy: -279.972
where: short stacking energy: -114.019
Base-Backbone interact. energy: 1.191
local terms energy: -108.264081
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -15.476
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: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -109.369765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.369765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.369765 (E_RNA)
where:
Base-Base interactions energy: -46.766
where: short stacking energy: -43.335
Base-Backbone interact. energy: 1.156
local terms energy: -63.759664
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -9.288
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -108.984405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.984405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.984405 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -27.450
Base-Backbone interact. energy: 2.586
local terms energy: -74.768751
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -425.642298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.642298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.642298 (E_RNA)
where:
Base-Base interactions energy: -296.112
where: short stacking energy: -121.228
Base-Backbone interact. energy: -1.504
local terms energy: -128.026036
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -35.557
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: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -421.381761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.381761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.381761 (E_RNA)
where:
Base-Base interactions energy: -298.882
where: short stacking energy: -121.116
Base-Backbone interact. energy: -0.002
local terms energy: -122.496947
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -38.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -408.881881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.881881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.881881 (E_RNA)
where:
Base-Base interactions energy: -288.149
where: short stacking energy: -117.675
Base-Backbone interact. energy: -0.215
local terms energy: -120.517957
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -18.751
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: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -403.156600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.156600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.156600 (E_RNA)
where:
Base-Base interactions energy: -287.370
where: short stacking energy: -116.834
Base-Backbone interact. energy: -0.231
local terms energy: -115.554930
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -36.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -395.814795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.814795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.814795 (E_RNA)
where:
Base-Base interactions energy: -280.927
where: short stacking energy: -116.831
Base-Backbone interact. energy: -0.019
local terms energy: -114.868545
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -35.055
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: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -398.628063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.628063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.628063 (E_RNA)
where:
Base-Base interactions energy: -286.663
where: short stacking energy: -111.008
Base-Backbone interact. energy: -0.156
local terms energy: -111.808520
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -34.704
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: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -389.850294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.850294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.850294 (E_RNA)
where:
Base-Base interactions energy: -282.580
where: short stacking energy: -121.078
Base-Backbone interact. energy: -0.015
local terms energy: -107.254649
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -32.225
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: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -392.705730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.705730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.705730 (E_RNA)
where:
Base-Base interactions energy: -274.073
where: short stacking energy: -115.004
Base-Backbone interact. energy: -0.165
local terms energy: -118.467438
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -36.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -111.456212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.456212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.456212 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -42.699
Base-Backbone interact. energy: -0.125
local terms energy: -68.831315
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -109.447960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.447960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.447960 (E_RNA)
where:
Base-Base interactions energy: -28.160
where: short stacking energy: -28.160
Base-Backbone interact. energy: -0.316
local terms energy: -80.972348
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -417.661530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.661530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.661530 (E_RNA)
where:
Base-Base interactions energy: -297.064
where: short stacking energy: -117.900
Base-Backbone interact. energy: -0.003
local terms energy: -120.594569
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -34.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -408.673899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.673899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.673899 (E_RNA)
where:
Base-Base interactions energy: -292.806
where: short stacking energy: -120.064
Base-Backbone interact. energy: -0.016
local terms energy: -115.851504
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -34.252
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: 430
Temperature: 1.000000
Total energy: -409.104877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.104877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.104877 (E_RNA)
where:
Base-Base interactions energy: -288.165
where: short stacking energy: -119.372
Base-Backbone interact. energy: -0.302
local terms energy: -120.638252
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -33.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -403.591201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.591201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.591201 (E_RNA)
where:
Base-Base interactions energy: -282.021
where: short stacking energy: -112.184
Base-Backbone interact. energy: -0.933
local terms energy: -120.637683
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -34.970
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -405.147786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.147786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.147786 (E_RNA)
where:
Base-Base interactions energy: -284.626
where: short stacking energy: -116.035
Base-Backbone interact. energy: -0.014
local terms energy: -120.507770
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -36.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -384.764160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.764160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.764160 (E_RNA)
where:
Base-Base interactions energy: -276.263
where: short stacking energy: -112.810
Base-Backbone interact. energy: -0.461
local terms energy: -108.040674
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -32.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -387.766233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.766233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.766233 (E_RNA)
where:
Base-Base interactions energy: -273.296
where: short stacking energy: -111.707
Base-Backbone interact. energy: -0.003
local terms energy: -114.467480
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -34.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -385.784548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.784548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.784548 (E_RNA)
where:
Base-Base interactions energy: -278.310
where: short stacking energy: -113.261
Base-Backbone interact. energy: -0.417
local terms energy: -107.057869
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -29.259
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: 9, replica: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -114.549579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.549579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.549579 (E_RNA)
where:
Base-Base interactions energy: -44.048
where: short stacking energy: -31.596
Base-Backbone interact. energy: -0.065
local terms energy: -70.436427
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: 2.331
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: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -114.577206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.577206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.577206 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -21.940
Base-Backbone interact. energy: -0.323
local terms energy: -73.075212
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -16.373
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: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -421.745824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.745824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.745824 (E_RNA)
where:
Base-Base interactions energy: -299.695
where: short stacking energy: -122.528
Base-Backbone interact. energy: -0.001
local terms energy: -122.050531
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -36.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -410.041989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.041989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.041989 (E_RNA)
where:
Base-Base interactions energy: -285.335
where: short stacking energy: -115.466
Base-Backbone interact. energy: -0.268
local terms energy: -124.438986
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -35.963
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: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -415.930485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.930485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.930485 (E_RNA)
where:
Base-Base interactions energy: -287.138
where: short stacking energy: -117.545
Base-Backbone interact. energy: -0.020
local terms energy: -128.772104
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -36.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -403.213117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.213117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.213117 (E_RNA)
where:
Base-Base interactions energy: -282.635
where: short stacking energy: -115.464
Base-Backbone interact. energy: 0.659
local terms energy: -121.236384
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -37.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -398.841336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.841336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.841336 (E_RNA)
where:
Base-Base interactions energy: -281.672
where: short stacking energy: -116.966
Base-Backbone interact. energy: -0.035
local terms energy: -117.133582
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -25.088
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -33.848
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: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -396.065702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.065702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.065702 (E_RNA)
where:
Base-Base interactions energy: -282.561
where: short stacking energy: -115.591
Base-Backbone interact. energy: -0.625
local terms energy: -112.878827
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -36.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -388.980257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.980257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.980257 (E_RNA)
where:
Base-Base interactions energy: -276.927
where: short stacking energy: -115.751
Base-Backbone interact. energy: -0.593
local terms energy: -111.460162
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -36.075
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: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -381.895654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.895654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.895654 (E_RNA)
where:
Base-Base interactions energy: -268.798
where: short stacking energy: -113.086
Base-Backbone interact. energy: -0.360
local terms energy: -112.738571
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -29.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -119.003388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.003388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.003388 (E_RNA)
where:
Base-Base interactions energy: -43.932
where: short stacking energy: -28.887
Base-Backbone interact. energy: -0.585
local terms energy: -74.486577
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -2.521
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: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -107.931513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.931513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.931513 (E_RNA)
where:
Base-Base interactions energy: -38.585
where: short stacking energy: -37.408
Base-Backbone interact. energy: -0.347
local terms energy: -68.999709
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: 3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -419.013187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.013187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.013187 (E_RNA)
where:
Base-Base interactions energy: -293.912
where: short stacking energy: -117.811
Base-Backbone interact. energy: -0.003
local terms energy: -125.098194
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -38.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -418.409347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.409347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.409347 (E_RNA)
where:
Base-Base interactions energy: -293.268
where: short stacking energy: -122.262
Base-Backbone interact. energy: -0.000
local terms energy: -125.141241
where:
bonds (distance) C4'-P energy: -23.962
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -36.280
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: 432
Temperature: 1.000000
Total energy: -417.517335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.517335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.517335 (E_RNA)
where:
Base-Base interactions energy: -295.809
where: short stacking energy: -127.674
Base-Backbone interact. energy: -0.240
local terms energy: -121.468697
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -34.951
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: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -400.473357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.473357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.473357 (E_RNA)
where:
Base-Base interactions energy: -286.558
where: short stacking energy: -119.639
Base-Backbone interact. energy: -0.123
local terms energy: -113.792284
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -34.071
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: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -403.492222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.492222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.492222 (E_RNA)
where:
Base-Base interactions energy: -288.127
where: short stacking energy: -119.491
Base-Backbone interact. energy: -0.105
local terms energy: -115.260784
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -34.761
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: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -401.386864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.386864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.386864 (E_RNA)
where:
Base-Base interactions energy: -284.898
where: short stacking energy: -119.093
Base-Backbone interact. energy: -0.004
local terms energy: -116.484924
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -35.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -392.346607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.346607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.346607 (E_RNA)
where:
Base-Base interactions energy: -285.663
where: short stacking energy: -109.997
Base-Backbone interact. energy: -0.002
local terms energy: -106.681906
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -34.406
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: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -397.033348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.033348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.033348 (E_RNA)
where:
Base-Base interactions energy: -283.074
where: short stacking energy: -120.913
Base-Backbone interact. energy: -0.222
local terms energy: -113.737284
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -37.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -121.319108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.319108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.319108 (E_RNA)
where:
Base-Base interactions energy: -52.907
where: short stacking energy: -39.165
Base-Backbone interact. energy: -2.259
local terms energy: -66.152991
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: 0.473
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: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -139.619924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.619924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.619924 (E_RNA)
where:
Base-Base interactions energy: -67.181
where: short stacking energy: -32.853
Base-Backbone interact. energy: -0.533
local terms energy: -71.906009
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -7.096
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: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -418.508102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.508102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.508102 (E_RNA)
where:
Base-Base interactions energy: -296.708
where: short stacking energy: -121.276
Base-Backbone interact. energy: -0.001
local terms energy: -121.798763
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -34.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -406.872412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.872412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.872412 (E_RNA)
where:
Base-Base interactions energy: -293.523
where: short stacking energy: -113.645
Base-Backbone interact. energy: -0.322
local terms energy: -113.027639
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -31.045
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: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -407.515577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.515577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.515577 (E_RNA)
where:
Base-Base interactions energy: -290.332
where: short stacking energy: -111.750
Base-Backbone interact. energy: -0.692
local terms energy: -116.490975
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -13.536
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: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -406.120020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.120020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.120020 (E_RNA)
where:
Base-Base interactions energy: -292.372
where: short stacking energy: -122.176
Base-Backbone interact. energy: -0.122
local terms energy: -113.625748
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -35.273
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -407.158214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.158214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.158214 (E_RNA)
where:
Base-Base interactions energy: -284.214
where: short stacking energy: -112.791
Base-Backbone interact. energy: -0.081
local terms energy: -122.863561
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -37.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -405.010112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.010112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.010112 (E_RNA)
where:
Base-Base interactions energy: -280.481
where: short stacking energy: -112.420
Base-Backbone interact. energy: -0.322
local terms energy: -124.206439
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -26.085
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -35.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -383.101708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.101708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.101708 (E_RNA)
where:
Base-Base interactions energy: -270.730
where: short stacking energy: -110.540
Base-Backbone interact. energy: -1.268
local terms energy: -111.103969
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -31.213
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: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -382.279155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.279155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.279155 (E_RNA)
where:
Base-Base interactions energy: -280.819
where: short stacking energy: -110.219
Base-Backbone interact. energy: 3.229
local terms energy: -104.689522
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -33.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -113.676680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.676680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.676680 (E_RNA)
where:
Base-Base interactions energy: -40.276
where: short stacking energy: -26.965
Base-Backbone interact. energy: -0.402
local terms energy: -72.999275
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -0.736
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: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -112.873997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.873997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.873997 (E_RNA)
where:
Base-Base interactions energy: -34.054
where: short stacking energy: -17.509
Base-Backbone interact. energy: 0.387
local terms energy: -79.207088
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -14.471
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: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -417.180992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.180992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.180992 (E_RNA)
where:
Base-Base interactions energy: -295.729
where: short stacking energy: -123.464
Base-Backbone interact. energy: -0.003
local terms energy: -121.448514
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -34.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -418.505251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.505251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.505251 (E_RNA)
where:
Base-Base interactions energy: -293.329
where: short stacking energy: -121.472
Base-Backbone interact. energy: -0.157
local terms energy: -125.018712
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -21.430
tors. eta vs tors. theta energy: -35.400
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: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -415.746636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.746636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.746636 (E_RNA)
where:
Base-Base interactions energy: -286.215
where: short stacking energy: -123.373
Base-Backbone interact. energy: -0.568
local terms energy: -128.964041
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -37.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -407.504956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.504956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.504956 (E_RNA)
where:
Base-Base interactions energy: -287.792
where: short stacking energy: -115.135
Base-Backbone interact. energy: -0.498
local terms energy: -119.214412
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -35.029
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: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -401.308472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.308472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.308472 (E_RNA)
where:
Base-Base interactions energy: -283.034
where: short stacking energy: -113.810
Base-Backbone interact. energy: -0.461
local terms energy: -117.813253
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -31.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -394.030504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.030504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.030504 (E_RNA)
where:
Base-Base interactions energy: -286.512
where: short stacking energy: -117.543
Base-Backbone interact. energy: -0.393
local terms energy: -107.125921
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -34.395
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -383.541557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.541557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.541557 (E_RNA)
where:
Base-Base interactions energy: -275.142
where: short stacking energy: -118.717
Base-Backbone interact. energy: -0.199
local terms energy: -108.200425
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -33.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -368.152643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.152643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.152643 (E_RNA)
where:
Base-Base interactions energy: -265.210
where: short stacking energy: -105.216
Base-Backbone interact. energy: -0.101
local terms energy: -102.842397
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -20.781
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: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -113.735240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.735240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.735240 (E_RNA)
where:
Base-Base interactions energy: -42.483
where: short stacking energy: -34.383
Base-Backbone interact. energy: -0.751
local terms energy: -70.501415
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -104.404511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.404511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.404511 (E_RNA)
where:
Base-Base interactions energy: -38.605
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.286
local terms energy: -65.513554
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -4.895
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: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -420.727297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.727297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.727297 (E_RNA)
where:
Base-Base interactions energy: -299.136
where: short stacking energy: -121.293
Base-Backbone interact. energy: -0.007
local terms energy: -121.584722
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -25.816
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -36.546
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: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -413.204162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.204162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.204162 (E_RNA)
where:
Base-Base interactions energy: -290.188
where: short stacking energy: -116.558
Base-Backbone interact. energy: -0.001
local terms energy: -123.015283
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -35.697
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: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -413.144878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.144878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.144878 (E_RNA)
where:
Base-Base interactions energy: -289.777
where: short stacking energy: -111.918
Base-Backbone interact. energy: -0.200
local terms energy: -123.167690
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -33.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -398.035952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.035952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.035952 (E_RNA)
where:
Base-Base interactions energy: -281.641
where: short stacking energy: -109.184
Base-Backbone interact. energy: 0.418
local terms energy: -116.813184
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -30.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -405.049138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.049138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.049138 (E_RNA)
where:
Base-Base interactions energy: -290.761
where: short stacking energy: -116.679
Base-Backbone interact. energy: 0.294
local terms energy: -114.582400
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -14.955
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: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -387.951661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.951661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.951661 (E_RNA)
where:
Base-Base interactions energy: -280.405
where: short stacking energy: -108.966
Base-Backbone interact. energy: -0.004
local terms energy: -107.543082
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -35.533
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: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -391.088857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.088857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.088857 (E_RNA)
where:
Base-Base interactions energy: -278.647
where: short stacking energy: -117.992
Base-Backbone interact. energy: -0.146
local terms energy: -112.295968
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -24.421
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -36.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -365.611624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.611624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.611624 (E_RNA)
where:
Base-Base interactions energy: -257.846
where: short stacking energy: -106.735
Base-Backbone interact. energy: -2.067
local terms energy: -105.697696
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -12.536
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: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -117.354004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.354004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.354004 (E_RNA)
where:
Base-Base interactions energy: -51.481
where: short stacking energy: -43.520
Base-Backbone interact. energy: 1.295
local terms energy: -67.168030
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: 2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -110.674998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.674998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.674998 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -35.141
Base-Backbone interact. energy: -0.280
local terms energy: -74.460471
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -419.932329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.932329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.932329 (E_RNA)
where:
Base-Base interactions energy: -295.132
where: short stacking energy: -124.779
Base-Backbone interact. energy: -0.292
local terms energy: -124.508055
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -19.837
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: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -410.535723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.535723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.535723 (E_RNA)
where:
Base-Base interactions energy: -297.272
where: short stacking energy: -121.512
Base-Backbone interact. energy: -0.306
local terms energy: -112.957131
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -36.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -412.368285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.368285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.368285 (E_RNA)
where:
Base-Base interactions energy: -292.103
where: short stacking energy: -122.030
Base-Backbone interact. energy: -0.001
local terms energy: -120.263958
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -35.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -404.887210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.887210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.887210 (E_RNA)
where:
Base-Base interactions energy: -280.723
where: short stacking energy: -111.751
Base-Backbone interact. energy: -0.369
local terms energy: -123.795216
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -34.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -402.684440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.684440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.684440 (E_RNA)
where:
Base-Base interactions energy: -286.930
where: short stacking energy: -117.609
Base-Backbone interact. energy: -0.138
local terms energy: -115.616200
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -36.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -384.336457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.336457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.336457 (E_RNA)
where:
Base-Base interactions energy: -275.214
where: short stacking energy: -113.926
Base-Backbone interact. energy: -0.015
local terms energy: -109.107930
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -34.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -390.664662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.664662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.664662 (E_RNA)
where:
Base-Base interactions energy: -279.706
where: short stacking energy: -114.798
Base-Backbone interact. energy: 0.000
local terms energy: -110.958365
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -33.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -400.231836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.231836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.231836 (E_RNA)
where:
Base-Base interactions energy: -290.038
where: short stacking energy: -115.192
Base-Backbone interact. energy: -0.468
local terms energy: -109.725570
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -32.759
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: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -104.893361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.893361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.893361 (E_RNA)
where:
Base-Base interactions energy: -40.507
where: short stacking energy: -37.783
Base-Backbone interact. energy: -0.115
local terms energy: -64.271639
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -111.982560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.982560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.982560 (E_RNA)
where:
Base-Base interactions energy: -41.181
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.129
local terms energy: -70.672748
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -4.197
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: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -423.672229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.672229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.672229 (E_RNA)
where:
Base-Base interactions energy: -295.550
where: short stacking energy: -125.625
Base-Backbone interact. energy: -0.202
local terms energy: -127.920156
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -34.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -423.926615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.926615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.926615 (E_RNA)
where:
Base-Base interactions energy: -306.123
where: short stacking energy: -125.491
Base-Backbone interact. energy: -0.212
local terms energy: -117.591790
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -37.280
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: 437
Temperature: 1.000000
Total energy: -412.799557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.799557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.799557 (E_RNA)
where:
Base-Base interactions energy: -295.177
where: short stacking energy: -121.189
Base-Backbone interact. energy: -0.149
local terms energy: -117.473606
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -36.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -407.924032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.924032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.924032 (E_RNA)
where:
Base-Base interactions energy: -291.639
where: short stacking energy: -121.156
Base-Backbone interact. energy: -0.041
local terms energy: -116.243987
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -37.245
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: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -396.874291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.874291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.874291 (E_RNA)
where:
Base-Base interactions energy: -285.506
where: short stacking energy: -118.935
Base-Backbone interact. energy: -0.512
local terms energy: -110.856114
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -33.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -386.264592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.264592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.264592 (E_RNA)
where:
Base-Base interactions energy: -279.382
where: short stacking energy: -107.579
Base-Backbone interact. energy: -0.679
local terms energy: -106.202882
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -34.257
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: 437
Temperature: 1.200000
Total energy: -391.636489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.636489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.636489 (E_RNA)
where:
Base-Base interactions energy: -274.310
where: short stacking energy: -114.309
Base-Backbone interact. energy: -0.199
local terms energy: -117.126947
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -33.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -377.098157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.098157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.098157 (E_RNA)
where:
Base-Base interactions energy: -267.110
where: short stacking energy: -106.857
Base-Backbone interact. energy: -0.703
local terms energy: -109.284961
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -33.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -116.477388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.477388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.477388 (E_RNA)
where:
Base-Base interactions energy: -44.090
where: short stacking energy: -31.803
Base-Backbone interact. energy: 0.593
local terms energy: -72.980455
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -0.940
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: 437
Temperature: 1.350000
Total energy: -109.523662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.523662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.523662 (E_RNA)
where:
Base-Base interactions energy: -51.068
where: short stacking energy: -30.583
Base-Backbone interact. energy: 1.163
local terms energy: -59.619224
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -2.672
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: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -421.681638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.681638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.681638 (E_RNA)
where:
Base-Base interactions energy: -292.552
where: short stacking energy: -122.623
Base-Backbone interact. energy: -0.000
local terms energy: -129.130034
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -34.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -413.079370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.079370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.079370 (E_RNA)
where:
Base-Base interactions energy: -289.998
where: short stacking energy: -124.098
Base-Backbone interact. energy: -0.311
local terms energy: -122.770666
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -38.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -410.561640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.561640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.561640 (E_RNA)
where:
Base-Base interactions energy: -285.926
where: short stacking energy: -116.892
Base-Backbone interact. energy: -0.012
local terms energy: -124.623589
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -35.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -400.880763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.880763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.880763 (E_RNA)
where:
Base-Base interactions energy: -278.263
where: short stacking energy: -115.766
Base-Backbone interact. energy: 0.365
local terms energy: -122.983047
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -35.121
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: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -400.356078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.356078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.356078 (E_RNA)
where:
Base-Base interactions energy: -295.357
where: short stacking energy: -121.604
Base-Backbone interact. energy: -0.004
local terms energy: -104.994607
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -34.436
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: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -387.676940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.676940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.676940 (E_RNA)
where:
Base-Base interactions energy: -279.339
where: short stacking energy: -116.111
Base-Backbone interact. energy: -0.001
local terms energy: -108.337732
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -32.764
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: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -385.648652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.648652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.648652 (E_RNA)
where:
Base-Base interactions energy: -265.363
where: short stacking energy: -106.421
Base-Backbone interact. energy: -0.002
local terms energy: -120.283707
where:
bonds (distance) C4'-P energy: -26.325
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -33.977
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: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -377.079952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.079952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.079952 (E_RNA)
where:
Base-Base interactions energy: -261.787
where: short stacking energy: -108.250
Base-Backbone interact. energy: -1.765
local terms energy: -113.528484
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -29.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -110.034259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.034259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.034259 (E_RNA)
where:
Base-Base interactions energy: -48.600
where: short stacking energy: -31.718
Base-Backbone interact. energy: -1.190
local terms energy: -60.243665
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -110.711745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.711745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.711745 (E_RNA)
where:
Base-Base interactions energy: -32.867
where: short stacking energy: -27.910
Base-Backbone interact. energy: 0.329
local terms energy: -78.173443
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: 0.754
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: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -416.477794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.477794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.477794 (E_RNA)
where:
Base-Base interactions energy: -300.533
where: short stacking energy: -115.662
Base-Backbone interact. energy: -0.005
local terms energy: -115.940264
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -31.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -413.656713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.656713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.656713 (E_RNA)
where:
Base-Base interactions energy: -291.997
where: short stacking energy: -123.352
Base-Backbone interact. energy: -0.082
local terms energy: -121.577495
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: -32.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -410.619634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.619634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.619634 (E_RNA)
where:
Base-Base interactions energy: -290.499
where: short stacking energy: -116.039
Base-Backbone interact. energy: -0.003
local terms energy: -120.117239
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -32.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -403.846400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.846400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.846400 (E_RNA)
where:
Base-Base interactions energy: -284.813
where: short stacking energy: -122.424
Base-Backbone interact. energy: -0.080
local terms energy: -118.953604
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -35.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -402.815184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.815184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.815184 (E_RNA)
where:
Base-Base interactions energy: -291.797
where: short stacking energy: -114.424
Base-Backbone interact. energy: -0.321
local terms energy: -110.697232
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -36.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -390.097265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.097265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.097265 (E_RNA)
where:
Base-Base interactions energy: -273.654
where: short stacking energy: -105.855
Base-Backbone interact. energy: -0.053
local terms energy: -116.390338
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -33.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -389.525060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.525060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.525060 (E_RNA)
where:
Base-Base interactions energy: -269.783
where: short stacking energy: -113.721
Base-Backbone interact. energy: -0.060
local terms energy: -119.681408
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -33.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -383.714673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.714673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.714673 (E_RNA)
where:
Base-Base interactions energy: -274.098
where: short stacking energy: -111.294
Base-Backbone interact. energy: -0.148
local terms energy: -109.468458
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -33.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -119.601564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.601564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.601564 (E_RNA)
where:
Base-Base interactions energy: -56.423
where: short stacking energy: -38.159
Base-Backbone interact. energy: -0.427
local terms energy: -62.752196
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -18.235
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: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -117.855071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.855071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.855071 (E_RNA)
where:
Base-Base interactions energy: -59.385
where: short stacking energy: -24.547
Base-Backbone interact. energy: -0.407
local terms energy: -58.062778
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: 3.069
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: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -424.502061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.502061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.502061 (E_RNA)
where:
Base-Base interactions energy: -297.145
where: short stacking energy: -126.697
Base-Backbone interact. energy: -0.094
local terms energy: -127.263267
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -37.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -413.740652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.740652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.740652 (E_RNA)
where:
Base-Base interactions energy: -290.036
where: short stacking energy: -123.176
Base-Backbone interact. energy: -0.000
local terms energy: -123.704740
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -37.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -410.651667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.651667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.651667 (E_RNA)
where:
Base-Base interactions energy: -287.922
where: short stacking energy: -118.598
Base-Backbone interact. energy: -0.092
local terms energy: -122.638393
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -34.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -403.226429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.226429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.226429 (E_RNA)
where:
Base-Base interactions energy: -289.870
where: short stacking energy: -113.763
Base-Backbone interact. energy: -0.216
local terms energy: -113.140161
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -37.126
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: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -397.339588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.339588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.339588 (E_RNA)
where:
Base-Base interactions energy: -281.212
where: short stacking energy: -112.806
Base-Backbone interact. energy: -0.016
local terms energy: -116.111190
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -33.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -389.810503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.810503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.810503 (E_RNA)
where:
Base-Base interactions energy: -280.335
where: short stacking energy: -120.411
Base-Backbone interact. energy: -0.013
local terms energy: -109.462485
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -15.717
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: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -378.127126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.127126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.127126 (E_RNA)
where:
Base-Base interactions energy: -271.135
where: short stacking energy: -108.847
Base-Backbone interact. energy: -0.356
local terms energy: -106.636101
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -33.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -380.345896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.345896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.345896 (E_RNA)
where:
Base-Base interactions energy: -272.536
where: short stacking energy: -108.522
Base-Backbone interact. energy: 1.107
local terms energy: -108.917049
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -31.890
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: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -126.346994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.346994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.346994 (E_RNA)
where:
Base-Base interactions energy: -52.056
where: short stacking energy: -40.920
Base-Backbone interact. energy: -1.032
local terms energy: -73.259539
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -6.332
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: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -111.633343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.633343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.633343 (E_RNA)
where:
Base-Base interactions energy: -50.029
where: short stacking energy: -26.128
Base-Backbone interact. energy: -0.211
local terms energy: -61.393429
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: 2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -422.290798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.290798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.290798 (E_RNA)
where:
Base-Base interactions energy: -302.354
where: short stacking energy: -127.688
Base-Backbone interact. energy: -0.001
local terms energy: -119.936335
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -35.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -415.071741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.071741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.071741 (E_RNA)
where:
Base-Base interactions energy: -297.902
where: short stacking energy: -116.942
Base-Backbone interact. energy: -0.001
local terms energy: -117.167947
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -33.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -414.254689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.254689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.254689 (E_RNA)
where:
Base-Base interactions energy: -295.465
where: short stacking energy: -126.354
Base-Backbone interact. energy: -1.084
local terms energy: -117.705329
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -16.333
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: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -412.203998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.203998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.203998 (E_RNA)
where:
Base-Base interactions energy: -292.458
where: short stacking energy: -117.137
Base-Backbone interact. energy: -0.296
local terms energy: -119.449636
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -23.991
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -34.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -394.688466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.688466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.688466 (E_RNA)
where:
Base-Base interactions energy: -286.916
where: short stacking energy: -117.333
Base-Backbone interact. energy: -0.792
local terms energy: -106.980005
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -33.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -396.040657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.040657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.040657 (E_RNA)
where:
Base-Base interactions energy: -283.638
where: short stacking energy: -111.151
Base-Backbone interact. energy: -0.001
local terms energy: -112.401052
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -34.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -385.904229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.904229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.904229 (E_RNA)
where:
Base-Base interactions energy: -270.748
where: short stacking energy: -112.956
Base-Backbone interact. energy: -0.001
local terms energy: -115.155040
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -35.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -377.113179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.113179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.113179 (E_RNA)
where:
Base-Base interactions energy: -265.040
where: short stacking energy: -104.235
Base-Backbone interact. energy: -0.010
local terms energy: -112.063591
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -34.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -113.537935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.537935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.537935 (E_RNA)
where:
Base-Base interactions energy: -48.712
where: short stacking energy: -31.114
Base-Backbone interact. energy: -0.540
local terms energy: -64.285136
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: 3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -143.746539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.746539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.746539 (E_RNA)
where:
Base-Base interactions energy: -77.833
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.927
local terms energy: -64.986950
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.023
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: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -419.849394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.849394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.849394 (E_RNA)
where:
Base-Base interactions energy: -295.237
where: short stacking energy: -123.108
Base-Backbone interact. energy: 0.200
local terms energy: -124.812378
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -35.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -413.019360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.019360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.019360 (E_RNA)
where:
Base-Base interactions energy: -297.286
where: short stacking energy: -120.032
Base-Backbone interact. energy: -0.313
local terms energy: -115.419525
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -34.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -409.802672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.802672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.802672 (E_RNA)
where:
Base-Base interactions energy: -288.051
where: short stacking energy: -120.459
Base-Backbone interact. energy: -0.075
local terms energy: -121.677275
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -35.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -403.037352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.037352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.037352 (E_RNA)
where:
Base-Base interactions energy: -284.323
where: short stacking energy: -114.050
Base-Backbone interact. energy: -0.122
local terms energy: -118.591893
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -37.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -410.157045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.157045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.157045 (E_RNA)
where:
Base-Base interactions energy: -287.782
where: short stacking energy: -117.382
Base-Backbone interact. energy: -0.216
local terms energy: -122.159220
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -35.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -393.013667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.013667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.013667 (E_RNA)
where:
Base-Base interactions energy: -278.771
where: short stacking energy: -111.855
Base-Backbone interact. energy: -0.011
local terms energy: -114.231745
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -34.890
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: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -388.762650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.762650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.762650 (E_RNA)
where:
Base-Base interactions energy: -274.954
where: short stacking energy: -110.267
Base-Backbone interact. energy: -0.251
local terms energy: -113.557336
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -28.617
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: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -384.858632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.858632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.858632 (E_RNA)
where:
Base-Base interactions energy: -281.298
where: short stacking energy: -115.748
Base-Backbone interact. energy: -0.032
local terms energy: -103.528365
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -31.541
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: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -107.743944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.743944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.743944 (E_RNA)
where:
Base-Base interactions energy: -49.472
where: short stacking energy: -41.175
Base-Backbone interact. energy: -0.103
local terms energy: -58.169302
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: 3.986
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -116.350422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.350422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.350422 (E_RNA)
where:
Base-Base interactions energy: -48.029
where: short stacking energy: -36.547
Base-Backbone interact. energy: -1.677
local terms energy: -66.644523
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -419.102693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.102693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.102693 (E_RNA)
where:
Base-Base interactions energy: -297.038
where: short stacking energy: -125.221
Base-Backbone interact. energy: -0.855
local terms energy: -121.210314
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -37.955
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: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -414.265850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.265850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.265850 (E_RNA)
where:
Base-Base interactions energy: -289.210
where: short stacking energy: -116.140
Base-Backbone interact. energy: -0.002
local terms energy: -125.053618
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -35.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -405.433292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.433292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.433292 (E_RNA)
where:
Base-Base interactions energy: -287.488
where: short stacking energy: -113.209
Base-Backbone interact. energy: -0.199
local terms energy: -117.745692
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -23.706
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -31.646
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: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -408.240798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.240798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.240798 (E_RNA)
where:
Base-Base interactions energy: -293.165
where: short stacking energy: -117.405
Base-Backbone interact. energy: -1.045
local terms energy: -114.030939
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -33.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -397.602226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.602226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.602226 (E_RNA)
where:
Base-Base interactions energy: -277.336
where: short stacking energy: -117.592
Base-Backbone interact. energy: -0.049
local terms energy: -120.216959
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -34.647
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: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -402.100830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.100830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.100830 (E_RNA)
where:
Base-Base interactions energy: -290.281
where: short stacking energy: -123.001
Base-Backbone interact. energy: -0.052
local terms energy: -111.767914
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -36.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -394.453272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.453272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.453272 (E_RNA)
where:
Base-Base interactions energy: -278.190
where: short stacking energy: -109.103
Base-Backbone interact. energy: -0.069
local terms energy: -116.194445
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -32.457
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: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -380.761848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.761848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.761848 (E_RNA)
where:
Base-Base interactions energy: -266.415
where: short stacking energy: -109.022
Base-Backbone interact. energy: -1.174
local terms energy: -113.172745
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -33.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -129.804598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.804598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.804598 (E_RNA)
where:
Base-Base interactions energy: -52.246
where: short stacking energy: -35.427
Base-Backbone interact. energy: 1.550
local terms energy: -79.108222
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -107.421823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.421823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.421823 (E_RNA)
where:
Base-Base interactions energy: -39.252
where: short stacking energy: -33.963
Base-Backbone interact. energy: 1.771
local terms energy: -69.940514
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -418.686039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.686039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.686039 (E_RNA)
where:
Base-Base interactions energy: -289.437
where: short stacking energy: -125.791
Base-Backbone interact. energy: -0.191
local terms energy: -129.058725
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -21.122
tors. eta vs tors. theta energy: -35.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -418.773603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.773603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.773603 (E_RNA)
where:
Base-Base interactions energy: -294.136
where: short stacking energy: -116.164
Base-Backbone interact. energy: -0.765
local terms energy: -123.872978
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -37.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -416.977554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.977554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.977554 (E_RNA)
where:
Base-Base interactions energy: -292.905
where: short stacking energy: -123.869
Base-Backbone interact. energy: -0.042
local terms energy: -124.030390
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -34.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -402.099452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.099452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.099452 (E_RNA)
where:
Base-Base interactions energy: -282.686
where: short stacking energy: -115.225
Base-Backbone interact. energy: -0.002
local terms energy: -119.410973
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -35.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -391.704967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.704967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.704967 (E_RNA)
where:
Base-Base interactions energy: -283.230
where: short stacking energy: -114.546
Base-Backbone interact. energy: -0.001
local terms energy: -108.474014
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -401.180686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.180686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.180686 (E_RNA)
where:
Base-Base interactions energy: -281.506
where: short stacking energy: -116.115
Base-Backbone interact. energy: -0.001
local terms energy: -119.673869
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -38.631
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: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -388.060235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.060235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.060235 (E_RNA)
where:
Base-Base interactions energy: -272.605
where: short stacking energy: -104.306
Base-Backbone interact. energy: -0.008
local terms energy: -115.447683
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -15.962
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: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -389.507112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.507112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.507112 (E_RNA)
where:
Base-Base interactions energy: -271.405
where: short stacking energy: -108.360
Base-Backbone interact. energy: -0.481
local terms energy: -117.621342
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -34.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -108.853600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.853600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.853600 (E_RNA)
where:
Base-Base interactions energy: -41.317
where: short stacking energy: -24.501
Base-Backbone interact. energy: 1.287
local terms energy: -68.823708
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 3.396
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: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -96.904457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.904457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.904457 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -23.890
Base-Backbone interact. energy: 0.018
local terms energy: -64.825583
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: 2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -420.487407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.487407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.487407 (E_RNA)
where:
Base-Base interactions energy: -300.347
where: short stacking energy: -119.788
Base-Backbone interact. energy: -0.823
local terms energy: -119.317551
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -26.779
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -34.083
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: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -407.361245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.361245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.361245 (E_RNA)
where:
Base-Base interactions energy: -297.769
where: short stacking energy: -125.828
Base-Backbone interact. energy: -0.379
local terms energy: -109.212893
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -34.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -410.649901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.649901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.649901 (E_RNA)
where:
Base-Base interactions energy: -288.845
where: short stacking energy: -122.570
Base-Backbone interact. energy: 2.490
local terms energy: -124.294701
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -32.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -395.374571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.374571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.374571 (E_RNA)
where:
Base-Base interactions energy: -284.288
where: short stacking energy: -114.370
Base-Backbone interact. energy: -0.294
local terms energy: -110.793189
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -33.998
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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -397.909508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.909508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.909508 (E_RNA)
where:
Base-Base interactions energy: -288.350
where: short stacking energy: -119.757
Base-Backbone interact. energy: -0.007
local terms energy: -109.552932
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -35.554
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: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -400.515424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.515424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.515424 (E_RNA)
where:
Base-Base interactions energy: -285.494
where: short stacking energy: -116.066
Base-Backbone interact. energy: -0.013
local terms energy: -115.008181
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -36.439
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: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -378.575822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.575822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.575822 (E_RNA)
where:
Base-Base interactions energy: -269.854
where: short stacking energy: -107.074
Base-Backbone interact. energy: -0.882
local terms energy: -107.839972
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -30.239
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: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -374.949904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.949904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.949904 (E_RNA)
where:
Base-Base interactions energy: -269.052
where: short stacking energy: -107.181
Base-Backbone interact. energy: -0.011
local terms energy: -105.886994
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -32.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -115.640908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.640908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.640908 (E_RNA)
where:
Base-Base interactions energy: -51.814
where: short stacking energy: -49.277
Base-Backbone interact. energy: 0.694
local terms energy: -64.521357
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -109.595845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.595845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.595845 (E_RNA)
where:
Base-Base interactions energy: -42.812
where: short stacking energy: -40.989
Base-Backbone interact. energy: 0.093
local terms energy: -66.877051
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: 2.140
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: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -418.640551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.640551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.640551 (E_RNA)
where:
Base-Base interactions energy: -296.494
where: short stacking energy: -125.146
Base-Backbone interact. energy: -0.000
local terms energy: -122.146307
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -37.027
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: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -428.052484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.052484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.052484 (E_RNA)
where:
Base-Base interactions energy: -299.869
where: short stacking energy: -125.964
Base-Backbone interact. energy: -0.024
local terms energy: -128.159467
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -34.853
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: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -412.716355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.716355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.716355 (E_RNA)
where:
Base-Base interactions energy: -294.308
where: short stacking energy: -122.961
Base-Backbone interact. energy: 0.238
local terms energy: -118.645752
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -15.698
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: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -404.429599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.429599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.429599 (E_RNA)
where:
Base-Base interactions energy: -279.179
where: short stacking energy: -117.044
Base-Backbone interact. energy: -0.081
local terms energy: -125.168735
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -38.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -399.352688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.352688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.352688 (E_RNA)
where:
Base-Base interactions energy: -279.852
where: short stacking energy: -111.489
Base-Backbone interact. energy: -0.006
local terms energy: -119.495464
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -33.367
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: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -399.067424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.067424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.067424 (E_RNA)
where:
Base-Base interactions energy: -282.980
where: short stacking energy: -118.990
Base-Backbone interact. energy: -0.045
local terms energy: -116.041953
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -36.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -393.614597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.614597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.614597 (E_RNA)
where:
Base-Base interactions energy: -282.144
where: short stacking energy: -120.477
Base-Backbone interact. energy: -0.006
local terms energy: -111.463978
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -34.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -369.831579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.831579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.831579 (E_RNA)
where:
Base-Base interactions energy: -263.171
where: short stacking energy: -108.237
Base-Backbone interact. energy: -0.463
local terms energy: -106.198170
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -34.328
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: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -115.693960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.693960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.693960 (E_RNA)
where:
Base-Base interactions energy: -43.782
where: short stacking energy: -32.841
Base-Backbone interact. energy: -0.645
local terms energy: -71.266876
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -15.240
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: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -105.801068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.801068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.801068 (E_RNA)
where:
Base-Base interactions energy: -40.712
where: short stacking energy: -40.560
Base-Backbone interact. energy: -0.274
local terms energy: -64.815366
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -2.550
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: 447
Temperature: 0.900000
Total energy: -422.430364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.430364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.430364 (E_RNA)
where:
Base-Base interactions energy: -297.453
where: short stacking energy: -123.124
Base-Backbone interact. energy: -0.593
local terms energy: -124.383938
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -35.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -414.069374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.069374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.069374 (E_RNA)
where:
Base-Base interactions energy: -287.366
where: short stacking energy: -116.741
Base-Backbone interact. energy: -0.022
local terms energy: -126.682298
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -38.390
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: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -417.888707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.888707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.888707 (E_RNA)
where:
Base-Base interactions energy: -284.717
where: short stacking energy: -117.558
Base-Backbone interact. energy: -1.251
local terms energy: -131.921005
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -36.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -402.228884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.228884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.228884 (E_RNA)
where:
Base-Base interactions energy: -290.258
where: short stacking energy: -112.435
Base-Backbone interact. energy: -0.013
local terms energy: -111.958330
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -31.645
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: 447
Temperature: 1.100000
Total energy: -395.170580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.170580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.170580 (E_RNA)
where:
Base-Base interactions energy: -281.824
where: short stacking energy: -118.663
Base-Backbone interact. energy: -0.297
local terms energy: -113.049620
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -36.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -388.514170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.514170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.514170 (E_RNA)
where:
Base-Base interactions energy: -278.285
where: short stacking energy: -115.037
Base-Backbone interact. energy: -0.737
local terms energy: -109.492393
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -388.109779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.109779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.109779 (E_RNA)
where:
Base-Base interactions energy: -276.200
where: short stacking energy: -110.499
Base-Backbone interact. energy: -0.043
local terms energy: -111.866721
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -34.425
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -376.721906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.721906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.721906 (E_RNA)
where:
Base-Base interactions energy: -276.486
where: short stacking energy: -114.325
Base-Backbone interact. energy: -0.458
local terms energy: -99.778185
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -30.856
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: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -124.931926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.931926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.931926 (E_RNA)
where:
Base-Base interactions energy: -51.856
where: short stacking energy: -26.926
Base-Backbone interact. energy: -0.077
local terms energy: -72.998642
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -101.816028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.816028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.816028 (E_RNA)
where:
Base-Base interactions energy: -26.184
where: short stacking energy: -26.184
Base-Backbone interact. energy: -1.574
local terms energy: -74.057962
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -418.565384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.565384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.565384 (E_RNA)
where:
Base-Base interactions energy: -301.580
where: short stacking energy: -128.784
Base-Backbone interact. energy: -0.008
local terms energy: -116.977584
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -33.126
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: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -413.984310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.984310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.984310 (E_RNA)
where:
Base-Base interactions energy: -295.964
where: short stacking energy: -121.961
Base-Backbone interact. energy: -0.408
local terms energy: -117.612246
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -34.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -405.961204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.961204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.961204 (E_RNA)
where:
Base-Base interactions energy: -286.667
where: short stacking energy: -122.947
Base-Backbone interact. energy: -0.414
local terms energy: -118.880487
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -36.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -416.555910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.555910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.555910 (E_RNA)
where:
Base-Base interactions energy: -296.915
where: short stacking energy: -118.236
Base-Backbone interact. energy: 0.041
local terms energy: -119.681693
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -17.912
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: 448
Temperature: 1.100000
Total energy: -400.099538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.099538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.099538 (E_RNA)
where:
Base-Base interactions energy: -280.252
where: short stacking energy: -119.847
Base-Backbone interact. energy: -0.252
local terms energy: -119.596260
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -35.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -387.430328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.430328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.430328 (E_RNA)
where:
Base-Base interactions energy: -279.793
where: short stacking energy: -115.955
Base-Backbone interact. energy: -0.380
local terms energy: -107.256979
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -35.453
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: 448
Temperature: 1.200000
Total energy: -385.869767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.869767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.869767 (E_RNA)
where:
Base-Base interactions energy: -278.535
where: short stacking energy: -109.689
Base-Backbone interact. energy: -0.043
local terms energy: -107.291718
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -30.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -378.832306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.832306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.832306 (E_RNA)
where:
Base-Base interactions energy: -265.982
where: short stacking energy: -109.011
Base-Backbone interact. energy: -0.018
local terms energy: -112.832354
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -32.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -112.996356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.996356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.996356 (E_RNA)
where:
Base-Base interactions energy: -49.958
where: short stacking energy: -24.431
Base-Backbone interact. energy: -0.626
local terms energy: -62.411690
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: 2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -130.438680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.438680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.438680 (E_RNA)
where:
Base-Base interactions energy: -56.092
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.008
local terms energy: -74.338156
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -432.107725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.107725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.107725 (E_RNA)
where:
Base-Base interactions energy: -304.638
where: short stacking energy: -130.442
Base-Backbone interact. energy: -0.027
local terms energy: -127.443609
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -36.451
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -415.694346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.694346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.694346 (E_RNA)
where:
Base-Base interactions energy: -295.472
where: short stacking energy: -119.850
Base-Backbone interact. energy: -0.057
local terms energy: -120.165196
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -35.936
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: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -412.831755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.831755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.831755 (E_RNA)
where:
Base-Base interactions energy: -296.750
where: short stacking energy: -124.606
Base-Backbone interact. energy: -0.049
local terms energy: -116.032506
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -33.098
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: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -405.576077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.576077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.576077 (E_RNA)
where:
Base-Base interactions energy: -286.404
where: short stacking energy: -121.273
Base-Backbone interact. energy: -0.001
local terms energy: -119.171368
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -36.064
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: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -401.940072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.940072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.940072 (E_RNA)
where:
Base-Base interactions energy: -289.232
where: short stacking energy: -120.705
Base-Backbone interact. energy: -0.348
local terms energy: -112.359461
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -36.340
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: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -388.821579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.821579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.821579 (E_RNA)
where:
Base-Base interactions energy: -277.358
where: short stacking energy: -115.427
Base-Backbone interact. energy: -0.373
local terms energy: -111.089916
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -34.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -393.408733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.408733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.408733 (E_RNA)
where:
Base-Base interactions energy: -277.720
where: short stacking energy: -117.437
Base-Backbone interact. energy: -0.006
local terms energy: -115.683178
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -19.069
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: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -379.026315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.026315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.026315 (E_RNA)
where:
Base-Base interactions energy: -272.710
where: short stacking energy: -113.402
Base-Backbone interact. energy: -0.045
local terms energy: -106.270787
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -33.181
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: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -118.457299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.457299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.457299 (E_RNA)
where:
Base-Base interactions energy: -45.988
where: short stacking energy: -45.988
Base-Backbone interact. energy: 0.107
local terms energy: -72.576229
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -5.308
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: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -123.198411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.198411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.198411 (E_RNA)
where:
Base-Base interactions energy: -53.351
where: short stacking energy: -40.640
Base-Backbone interact. energy: 0.201
local terms energy: -70.048307
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -419.052702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.052702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.052702 (E_RNA)
where:
Base-Base interactions energy: -301.861
where: short stacking energy: -123.842
Base-Backbone interact. energy: -0.492
local terms energy: -116.699626
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -36.609
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: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -418.965982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.965982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.965982 (E_RNA)
where:
Base-Base interactions energy: -297.073
where: short stacking energy: -125.038
Base-Backbone interact. energy: -0.286
local terms energy: -121.606655
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -27.336
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -37.056
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: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -411.536253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.536253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.536253 (E_RNA)
where:
Base-Base interactions energy: -296.206
where: short stacking energy: -123.523
Base-Backbone interact. energy: -0.001
local terms energy: -115.329128
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -16.768
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: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -400.861612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.861612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.861612 (E_RNA)
where:
Base-Base interactions energy: -286.489
where: short stacking energy: -105.875
Base-Backbone interact. energy: -0.059
local terms energy: -114.313235
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -30.917
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: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -400.461337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.461337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.461337 (E_RNA)
where:
Base-Base interactions energy: -288.670
where: short stacking energy: -118.574
Base-Backbone interact. energy: -0.368
local terms energy: -111.423687
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -33.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -390.435572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.435572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.435572 (E_RNA)
where:
Base-Base interactions energy: -274.586
where: short stacking energy: -111.124
Base-Backbone interact. energy: -0.006
local terms energy: -115.843831
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -33.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -393.861864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.861864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.861864 (E_RNA)
where:
Base-Base interactions energy: -280.613
where: short stacking energy: -109.670
Base-Backbone interact. energy: -0.915
local terms energy: -112.333698
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -14.049
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -380.737032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.737032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.737032 (E_RNA)
where:
Base-Base interactions energy: -269.920
where: short stacking energy: -110.770
Base-Backbone interact. energy: -0.239
local terms energy: -110.577847
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -35.225
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: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -147.613227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.613227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.613227 (E_RNA)
where:
Base-Base interactions energy: -70.459
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.719
local terms energy: -76.435357
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -112.929412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.929412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.929412 (E_RNA)
where:
Base-Base interactions energy: -47.278
where: short stacking energy: -38.418
Base-Backbone interact. energy: -0.722
local terms energy: -64.929370
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -416.489957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.489957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.489957 (E_RNA)
where:
Base-Base interactions energy: -289.298
where: short stacking energy: -122.110
Base-Backbone interact. energy: -0.217
local terms energy: -126.975190
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -36.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -425.042063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.042063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.042063 (E_RNA)
where:
Base-Base interactions energy: -301.856
where: short stacking energy: -124.846
Base-Backbone interact. energy: -0.405
local terms energy: -122.781069
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -38.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -409.789430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.789430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.789430 (E_RNA)
where:
Base-Base interactions energy: -294.896
where: short stacking energy: -123.143
Base-Backbone interact. energy: 0.943
local terms energy: -115.835866
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -36.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -407.974883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.974883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.974883 (E_RNA)
where:
Base-Base interactions energy: -285.326
where: short stacking energy: -116.168
Base-Backbone interact. energy: -0.002
local terms energy: -122.647018
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -38.150
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -397.302001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.302001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.302001 (E_RNA)
where:
Base-Base interactions energy: -280.715
where: short stacking energy: -115.503
Base-Backbone interact. energy: -0.031
local terms energy: -116.556065
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -35.000
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: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -395.220360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.220360 (E_RNA)
where:
Base-Base interactions energy: -282.654
where: short stacking energy: -107.073
Base-Backbone interact. energy: -0.152
local terms energy: -112.414767
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -34.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -388.011124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.011124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.011124 (E_RNA)
where:
Base-Base interactions energy: -273.092
where: short stacking energy: -116.564
Base-Backbone interact. energy: -0.078
local terms energy: -114.840218
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -32.630
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: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -380.856931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.856931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.856931 (E_RNA)
where:
Base-Base interactions energy: -270.395
where: short stacking energy: -106.942
Base-Backbone interact. energy: 0.787
local terms energy: -111.249375
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -33.620
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: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -108.717107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.717107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.717107 (E_RNA)
where:
Base-Base interactions energy: -33.205
where: short stacking energy: -33.305
Base-Backbone interact. energy: -0.399
local terms energy: -75.112438
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -106.832921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.832921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.832921 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -28.964
Base-Backbone interact. energy: 2.102
local terms energy: -77.605731
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -422.033676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.033676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.033676 (E_RNA)
where:
Base-Base interactions energy: -296.250
where: short stacking energy: -115.695
Base-Backbone interact. energy: 0.056
local terms energy: -125.840555
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -36.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -420.623156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.623156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.623156 (E_RNA)
where:
Base-Base interactions energy: -294.801
where: short stacking energy: -122.417
Base-Backbone interact. energy: -0.295
local terms energy: -125.527109
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -39.095
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: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -410.076427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.076427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.076427 (E_RNA)
where:
Base-Base interactions energy: -286.845
where: short stacking energy: -121.352
Base-Backbone interact. energy: -0.009
local terms energy: -123.222152
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -36.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -401.621757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.621757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.621757 (E_RNA)
where:
Base-Base interactions energy: -289.485
where: short stacking energy: -121.759
Base-Backbone interact. energy: 0.091
local terms energy: -112.228580
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -36.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -400.940117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.940117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.940117 (E_RNA)
where:
Base-Base interactions energy: -287.621
where: short stacking energy: -115.500
Base-Backbone interact. energy: -0.003
local terms energy: -113.316562
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -38.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -391.168846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.168846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.168846 (E_RNA)
where:
Base-Base interactions energy: -286.025
where: short stacking energy: -115.516
Base-Backbone interact. energy: -0.305
local terms energy: -104.839467
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -11.111
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -392.177322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.177322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.177322 (E_RNA)
where:
Base-Base interactions energy: -277.481
where: short stacking energy: -110.735
Base-Backbone interact. energy: -0.579
local terms energy: -114.117289
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -33.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -365.259950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.259950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.259950 (E_RNA)
where:
Base-Base interactions energy: -265.526
where: short stacking energy: -105.628
Base-Backbone interact. energy: -0.199
local terms energy: -99.534694
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -30.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -127.742307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.742307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.742307 (E_RNA)
where:
Base-Base interactions energy: -46.703
where: short stacking energy: -47.403
Base-Backbone interact. energy: -0.013
local terms energy: -81.025441
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -115.613687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.613687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.613687 (E_RNA)
where:
Base-Base interactions energy: -49.997
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.074
local terms energy: -65.543066
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -422.073127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.073127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.073127 (E_RNA)
where:
Base-Base interactions energy: -295.249
where: short stacking energy: -121.690
Base-Backbone interact. energy: -0.659
local terms energy: -126.164554
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -36.258
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -417.314282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.314282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.314282 (E_RNA)
where:
Base-Base interactions energy: -296.153
where: short stacking energy: -123.499
Base-Backbone interact. energy: -0.624
local terms energy: -120.536485
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -35.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -409.107171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.107171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.107171 (E_RNA)
where:
Base-Base interactions energy: -287.614
where: short stacking energy: -121.636
Base-Backbone interact. energy: -0.348
local terms energy: -121.144308
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -33.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -401.623217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.623217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.623217 (E_RNA)
where:
Base-Base interactions energy: -282.847
where: short stacking energy: -114.908
Base-Backbone interact. energy: -0.032
local terms energy: -118.744253
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -34.015
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: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -395.657640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.657640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.657640 (E_RNA)
where:
Base-Base interactions energy: -271.906
where: short stacking energy: -115.490
Base-Backbone interact. energy: -0.004
local terms energy: -123.747658
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -36.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -392.019490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.019490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.019490 (E_RNA)
where:
Base-Base interactions energy: -282.439
where: short stacking energy: -115.160
Base-Backbone interact. energy: -0.091
local terms energy: -109.488865
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -30.395
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: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -393.416225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.416225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.416225 (E_RNA)
where:
Base-Base interactions energy: -280.368
where: short stacking energy: -112.376
Base-Backbone interact. energy: -0.110
local terms energy: -112.937549
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -32.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -345.859038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.859038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.859038 (E_RNA)
where:
Base-Base interactions energy: -236.475
where: short stacking energy: -101.485
Base-Backbone interact. energy: -0.052
local terms energy: -109.332024
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -26.361
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: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -123.724967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.724967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.724967 (E_RNA)
where:
Base-Base interactions energy: -50.148
where: short stacking energy: -46.186
Base-Backbone interact. energy: 0.117
local terms energy: -73.693357
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -9.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -104.668197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.668197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.668197 (E_RNA)
where:
Base-Base interactions energy: -31.296
where: short stacking energy: -24.309
Base-Backbone interact. energy: -0.403
local terms energy: -72.969562
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: 3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -425.016774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.016774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.016774 (E_RNA)
where:
Base-Base interactions energy: -297.650
where: short stacking energy: -125.787
Base-Backbone interact. energy: -0.215
local terms energy: -127.152336
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -39.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -413.266531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.266531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.266531 (E_RNA)
where:
Base-Base interactions energy: -285.801
where: short stacking energy: -114.520
Base-Backbone interact. energy: -0.193
local terms energy: -127.271999
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -33.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -415.651738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.651738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.651738 (E_RNA)
where:
Base-Base interactions energy: -296.533
where: short stacking energy: -118.602
Base-Backbone interact. energy: -0.004
local terms energy: -119.114249
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -36.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -400.337525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.337525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.337525 (E_RNA)
where:
Base-Base interactions energy: -291.291
where: short stacking energy: -116.907
Base-Backbone interact. energy: -1.411
local terms energy: -107.634998
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -35.053
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: 454
Temperature: 1.100000
Total energy: -397.721242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.721242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.721242 (E_RNA)
where:
Base-Base interactions energy: -284.295
where: short stacking energy: -117.025
Base-Backbone interact. energy: 0.493
local terms energy: -113.918420
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -35.352
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: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -397.281638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.281638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.281638 (E_RNA)
where:
Base-Base interactions energy: -277.396
where: short stacking energy: -115.951
Base-Backbone interact. energy: -1.743
local terms energy: -118.142065
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -35.939
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: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -387.459179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.459179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.459179 (E_RNA)
where:
Base-Base interactions energy: -277.916
where: short stacking energy: -112.365
Base-Backbone interact. energy: 0.396
local terms energy: -109.939196
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -32.627
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: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -335.580297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.580297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.580297 (E_RNA)
where:
Base-Base interactions energy: -235.090
where: short stacking energy: -92.685
Base-Backbone interact. energy: -0.048
local terms energy: -100.442010
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -118.814561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.814561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.814561 (E_RNA)
where:
Base-Base interactions energy: -48.024
where: short stacking energy: -42.045
Base-Backbone interact. energy: 0.170
local terms energy: -70.960097
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -6.662
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: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -111.760895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.760895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.760895 (E_RNA)
where:
Base-Base interactions energy: -43.181
where: short stacking energy: -29.630
Base-Backbone interact. energy: -0.519
local terms energy: -68.061217
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: 0.410
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: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -425.524629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.524629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.524629 (E_RNA)
where:
Base-Base interactions energy: -300.676
where: short stacking energy: -126.289
Base-Backbone interact. energy: -0.003
local terms energy: -124.845411
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -38.146
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: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -401.361357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.361357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.361357 (E_RNA)
where:
Base-Base interactions energy: -283.163
where: short stacking energy: -111.338
Base-Backbone interact. energy: -0.509
local terms energy: -117.689540
where:
bonds (distance) C4'-P energy: -21.437
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -34.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -410.147663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.147663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.147663 (E_RNA)
where:
Base-Base interactions energy: -293.887
where: short stacking energy: -117.454
Base-Backbone interact. energy: 1.014
local terms energy: -117.274942
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -34.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -413.887041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.887041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.887041 (E_RNA)
where:
Base-Base interactions energy: -295.968
where: short stacking energy: -120.533
Base-Backbone interact. energy: -0.122
local terms energy: -117.797339
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -36.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -406.888249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.888249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.888249 (E_RNA)
where:
Base-Base interactions energy: -280.151
where: short stacking energy: -115.246
Base-Backbone interact. energy: -0.416
local terms energy: -126.320386
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -28.911
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -35.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -392.780775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.780775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.780775 (E_RNA)
where:
Base-Base interactions energy: -281.547
where: short stacking energy: -117.719
Base-Backbone interact. energy: -0.015
local terms energy: -111.218149
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -34.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -383.607027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.607027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.607027 (E_RNA)
where:
Base-Base interactions energy: -272.069
where: short stacking energy: -105.833
Base-Backbone interact. energy: -0.546
local terms energy: -110.992766
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -30.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -359.005539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.005539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.005539 (E_RNA)
where:
Base-Base interactions energy: -249.763
where: short stacking energy: -100.392
Base-Backbone interact. energy: -0.130
local terms energy: -109.112481
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -32.705
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: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -117.966058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.966058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.966058 (E_RNA)
where:
Base-Base interactions energy: -48.152
where: short stacking energy: -36.497
Base-Backbone interact. energy: -0.188
local terms energy: -69.626105
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -9.924
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: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -110.031675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.031675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.031675 (E_RNA)
where:
Base-Base interactions energy: -55.599
where: short stacking energy: -27.807
Base-Backbone interact. energy: 2.308
local terms energy: -56.739963
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -424.182520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.182520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.182520 (E_RNA)
where:
Base-Base interactions energy: -299.754
where: short stacking energy: -122.099
Base-Backbone interact. energy: -0.000
local terms energy: -124.428373
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -26.463
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -35.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -411.688228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.688228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.688228 (E_RNA)
where:
Base-Base interactions energy: -299.361
where: short stacking energy: -123.733
Base-Backbone interact. energy: -0.001
local terms energy: -112.326539
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -36.571
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: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -415.268290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.268290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.268290 (E_RNA)
where:
Base-Base interactions energy: -291.965
where: short stacking energy: -125.854
Base-Backbone interact. energy: -0.001
local terms energy: -123.302743
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: -35.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -403.415821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.415821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.415821 (E_RNA)
where:
Base-Base interactions energy: -280.065
where: short stacking energy: -113.726
Base-Backbone interact. energy: -0.317
local terms energy: -123.033306
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -37.197
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: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -409.820308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.820308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.820308 (E_RNA)
where:
Base-Base interactions energy: -288.127
where: short stacking energy: -121.105
Base-Backbone interact. energy: -0.002
local terms energy: -121.691208
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -35.425
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -388.896042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.896042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.896042 (E_RNA)
where:
Base-Base interactions energy: -280.486
where: short stacking energy: -114.482
Base-Backbone interact. energy: -0.244
local terms energy: -108.166626
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -33.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -391.646258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.646258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.646258 (E_RNA)
where:
Base-Base interactions energy: -277.672
where: short stacking energy: -114.019
Base-Backbone interact. energy: -0.051
local terms energy: -113.923692
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -35.897
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: 456
Temperature: 1.250000
Total energy: -385.193159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.193159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.193159 (E_RNA)
where:
Base-Base interactions energy: -276.427
where: short stacking energy: -109.432
Base-Backbone interact. energy: -0.309
local terms energy: -108.457285
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -32.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -114.821522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.821522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.821522 (E_RNA)
where:
Base-Base interactions energy: -55.449
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.299
local terms energy: -59.073757
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -0.748
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: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -106.360142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.360142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.360142 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -32.873
Base-Backbone interact. energy: -0.368
local terms energy: -71.138690
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -422.444256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.444256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.444256 (E_RNA)
where:
Base-Base interactions energy: -297.815
where: short stacking energy: -124.197
Base-Backbone interact. energy: -0.169
local terms energy: -124.460001
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -26.936
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -38.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -410.100351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.100351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.100351 (E_RNA)
where:
Base-Base interactions energy: -289.304
where: short stacking energy: -120.355
Base-Backbone interact. energy: -0.001
local terms energy: -120.795134
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -34.439
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: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -406.209395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.209395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.209395 (E_RNA)
where:
Base-Base interactions energy: -287.064
where: short stacking energy: -116.833
Base-Backbone interact. energy: -0.517
local terms energy: -118.627473
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -35.050
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: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -405.534539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.534539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.534539 (E_RNA)
where:
Base-Base interactions energy: -286.869
where: short stacking energy: -118.170
Base-Backbone interact. energy: -0.285
local terms energy: -118.380800
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -36.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -397.705268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.705268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.705268 (E_RNA)
where:
Base-Base interactions energy: -290.170
where: short stacking energy: -117.564
Base-Backbone interact. energy: -0.003
local terms energy: -107.533016
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -34.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -390.438567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.438567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.438567 (E_RNA)
where:
Base-Base interactions energy: -285.611
where: short stacking energy: -118.644
Base-Backbone interact. energy: -0.008
local terms energy: -104.819136
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -32.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -394.177724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.177724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.177724 (E_RNA)
where:
Base-Base interactions energy: -286.046
where: short stacking energy: -121.161
Base-Backbone interact. energy: -0.001
local terms energy: -108.130648
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -36.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -385.572286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.572286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.572286 (E_RNA)
where:
Base-Base interactions energy: -278.013
where: short stacking energy: -113.532
Base-Backbone interact. energy: -0.096
local terms energy: -107.463251
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -31.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -111.572264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.572264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.572264 (E_RNA)
where:
Base-Base interactions energy: -37.764
where: short stacking energy: -33.995
Base-Backbone interact. energy: 0.128
local terms energy: -73.935771
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -106.986015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.986015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.986015 (E_RNA)
where:
Base-Base interactions energy: -35.770
where: short stacking energy: -36.370
Base-Backbone interact. energy: -1.078
local terms energy: -70.137915
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -427.775687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.775687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.775687 (E_RNA)
where:
Base-Base interactions energy: -301.293
where: short stacking energy: -124.833
Base-Backbone interact. energy: 0.704
local terms energy: -127.185924
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -36.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -415.813992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.813992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.813992 (E_RNA)
where:
Base-Base interactions energy: -300.548
where: short stacking energy: -117.309
Base-Backbone interact. energy: -0.027
local terms energy: -115.239119
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -413.061731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.061731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.061731 (E_RNA)
where:
Base-Base interactions energy: -292.019
where: short stacking energy: -117.334
Base-Backbone interact. energy: -0.123
local terms energy: -120.919402
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -35.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -407.019571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.019571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.019571 (E_RNA)
where:
Base-Base interactions energy: -288.301
where: short stacking energy: -117.788
Base-Backbone interact. energy: -0.083
local terms energy: -118.634823
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -35.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -397.723733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.723733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.723733 (E_RNA)
where:
Base-Base interactions energy: -274.695
where: short stacking energy: -117.751
Base-Backbone interact. energy: -0.001
local terms energy: -123.028646
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -36.062
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: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -392.722912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.722912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.722912 (E_RNA)
where:
Base-Base interactions energy: -290.882
where: short stacking energy: -120.314
Base-Backbone interact. energy: -0.003
local terms energy: -101.838414
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -35.469
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: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -395.380433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.380433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.380433 (E_RNA)
where:
Base-Base interactions energy: -281.996
where: short stacking energy: -117.603
Base-Backbone interact. energy: -0.055
local terms energy: -113.329761
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -32.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -382.540389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.540389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.540389 (E_RNA)
where:
Base-Base interactions energy: -276.309
where: short stacking energy: -112.438
Base-Backbone interact. energy: -0.626
local terms energy: -105.604534
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -31.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -149.294216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.294216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.294216 (E_RNA)
where:
Base-Base interactions energy: -88.284
where: short stacking energy: -39.260
Base-Backbone interact. energy: 1.286
local terms energy: -62.296763
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -0.312
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: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -108.548811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.548811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.548811 (E_RNA)
where:
Base-Base interactions energy: -40.782
where: short stacking energy: -40.029
Base-Backbone interact. energy: 1.998
local terms energy: -69.764675
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -417.473468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.473468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.473468 (E_RNA)
where:
Base-Base interactions energy: -302.000
where: short stacking energy: -127.356
Base-Backbone interact. energy: -0.279
local terms energy: -115.194646
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -36.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -414.530089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.530089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.530089 (E_RNA)
where:
Base-Base interactions energy: -291.430
where: short stacking energy: -116.664
Base-Backbone interact. energy: -0.148
local terms energy: -122.951191
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -37.035
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: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -410.117751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.117751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.117751 (E_RNA)
where:
Base-Base interactions energy: -289.664
where: short stacking energy: -120.800
Base-Backbone interact. energy: -0.037
local terms energy: -120.417211
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -36.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -408.498833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.498833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.498833 (E_RNA)
where:
Base-Base interactions energy: -294.582
where: short stacking energy: -117.691
Base-Backbone interact. energy: -0.001
local terms energy: -113.915699
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -37.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -399.495069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.495069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.495069 (E_RNA)
where:
Base-Base interactions energy: -290.934
where: short stacking energy: -113.658
Base-Backbone interact. energy: -0.416
local terms energy: -108.145217
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -33.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -394.716524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.716524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.716524 (E_RNA)
where:
Base-Base interactions energy: -284.157
where: short stacking energy: -110.959
Base-Backbone interact. energy: -0.860
local terms energy: -109.699490
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -33.170
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: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -384.634322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.634322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.634322 (E_RNA)
where:
Base-Base interactions energy: -277.138
where: short stacking energy: -107.828
Base-Backbone interact. energy: -0.046
local terms energy: -107.451004
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -33.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -387.537707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.537707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.537707 (E_RNA)
where:
Base-Base interactions energy: -278.495
where: short stacking energy: -111.848
Base-Backbone interact. energy: -0.698
local terms energy: -108.344409
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -34.303
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: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -149.448320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.448320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.448320 (E_RNA)
where:
Base-Base interactions energy: -81.458
where: short stacking energy: -46.553
Base-Backbone interact. energy: 0.431
local terms energy: -68.421699
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -114.111333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.111333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.111333 (E_RNA)
where:
Base-Base interactions energy: -51.777
where: short stacking energy: -38.695
Base-Backbone interact. energy: -0.333
local terms energy: -62.001360
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -0.939
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -421.957138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.957138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.957138 (E_RNA)
where:
Base-Base interactions energy: -298.392
where: short stacking energy: -121.029
Base-Backbone interact. energy: -0.343
local terms energy: -123.222093
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -38.810
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: 460
Temperature: 0.950000
Total energy: -416.031341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.031341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.031341 (E_RNA)
where:
Base-Base interactions energy: -299.313
where: short stacking energy: -126.590
Base-Backbone interact. energy: -0.011
local terms energy: -116.707862
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -25.725
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -34.142
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: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -414.189899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.189899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.189899 (E_RNA)
where:
Base-Base interactions energy: -296.924
where: short stacking energy: -123.295
Base-Backbone interact. energy: 0.063
local terms energy: -117.329654
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -36.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -398.172597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.172597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.172597 (E_RNA)
where:
Base-Base interactions energy: -280.297
where: short stacking energy: -116.573
Base-Backbone interact. energy: -0.023
local terms energy: -117.852291
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -33.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -397.060451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.060451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.060451 (E_RNA)
where:
Base-Base interactions energy: -290.035
where: short stacking energy: -120.234
Base-Backbone interact. energy: 0.267
local terms energy: -107.291701
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -34.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -390.078017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.078017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.078017 (E_RNA)
where:
Base-Base interactions energy: -275.909
where: short stacking energy: -111.622
Base-Backbone interact. energy: -0.059
local terms energy: -114.110923
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -36.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -390.830141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.830141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.830141 (E_RNA)
where:
Base-Base interactions energy: -283.140
where: short stacking energy: -119.028
Base-Backbone interact. energy: -0.183
local terms energy: -107.506807
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -32.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -381.511208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.511208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.511208 (E_RNA)
where:
Base-Base interactions energy: -264.983
where: short stacking energy: -102.389
Base-Backbone interact. energy: -0.250
local terms energy: -116.278008
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -34.032
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: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -157.886249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.886249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.886249 (E_RNA)
where:
Base-Base interactions energy: -88.326
where: short stacking energy: -53.224
Base-Backbone interact. energy: -0.091
local terms energy: -69.468507
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -11.118
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: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -99.162555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.162555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.162555 (E_RNA)
where:
Base-Base interactions energy: -31.616
where: short stacking energy: -27.411
Base-Backbone interact. energy: -0.490
local terms energy: -67.056696
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -11.754
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: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -417.230369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.230369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.230369 (E_RNA)
where:
Base-Base interactions energy: -296.080
where: short stacking energy: -120.975
Base-Backbone interact. energy: -0.003
local terms energy: -121.146613
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -36.673
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: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -412.033337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.033337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.033337 (E_RNA)
where:
Base-Base interactions energy: -289.800
where: short stacking energy: -120.817
Base-Backbone interact. energy: -0.006
local terms energy: -122.227061
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -34.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -416.265101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.265101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.265101 (E_RNA)
where:
Base-Base interactions energy: -291.171
where: short stacking energy: -118.267
Base-Backbone interact. energy: -0.125
local terms energy: -124.968942
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -33.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -406.128691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.128691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.128691 (E_RNA)
where:
Base-Base interactions energy: -283.153
where: short stacking energy: -119.436
Base-Backbone interact. energy: -0.000
local terms energy: -122.975090
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -33.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -389.292328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.292328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.292328 (E_RNA)
where:
Base-Base interactions energy: -272.789
where: short stacking energy: -111.895
Base-Backbone interact. energy: -0.002
local terms energy: -116.501215
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -36.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -388.247728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.247728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.247728 (E_RNA)
where:
Base-Base interactions energy: -281.127
where: short stacking energy: -114.295
Base-Backbone interact. energy: -1.265
local terms energy: -105.855367
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -11.995
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: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -391.434197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.434197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.434197 (E_RNA)
where:
Base-Base interactions energy: -278.252
where: short stacking energy: -107.701
Base-Backbone interact. energy: -0.761
local terms energy: -112.421360
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -35.190
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: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -387.848684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.848684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.848684 (E_RNA)
where:
Base-Base interactions energy: -272.523
where: short stacking energy: -109.113
Base-Backbone interact. energy: -0.244
local terms energy: -115.081743
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -34.708
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: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -115.750664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.750664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.750664 (E_RNA)
where:
Base-Base interactions energy: -51.608
where: short stacking energy: -50.390
Base-Backbone interact. energy: 1.471
local terms energy: -65.613567
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -3.469
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: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -112.595057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.595057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.595057 (E_RNA)
where:
Base-Base interactions energy: -39.490
where: short stacking energy: -39.490
Base-Backbone interact. energy: -0.185
local terms energy: -72.919136
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -25.016
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -421.095053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.095053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.095053 (E_RNA)
where:
Base-Base interactions energy: -296.469
where: short stacking energy: -117.311
Base-Backbone interact. energy: -0.281
local terms energy: -124.344872
where:
bonds (distance) C4'-P energy: -24.720
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -32.776
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: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -421.076172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.076172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.076172 (E_RNA)
where:
Base-Base interactions energy: -302.729
where: short stacking energy: -126.398
Base-Backbone interact. energy: -0.170
local terms energy: -118.177786
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -19.383
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: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -412.875835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.875835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.875835 (E_RNA)
where:
Base-Base interactions energy: -293.719
where: short stacking energy: -122.720
Base-Backbone interact. energy: -0.003
local terms energy: -119.153978
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -34.969
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: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -402.370849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.370849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.370849 (E_RNA)
where:
Base-Base interactions energy: -288.241
where: short stacking energy: -119.036
Base-Backbone interact. energy: -0.215
local terms energy: -113.914024
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -400.355565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.355565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.355565 (E_RNA)
where:
Base-Base interactions energy: -290.049
where: short stacking energy: -123.765
Base-Backbone interact. energy: -0.004
local terms energy: -110.302660
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -36.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -389.707559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.707559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.707559 (E_RNA)
where:
Base-Base interactions energy: -280.688
where: short stacking energy: -109.454
Base-Backbone interact. energy: -0.004
local terms energy: -109.015696
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -31.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -384.494959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.494959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.494959 (E_RNA)
where:
Base-Base interactions energy: -275.318
where: short stacking energy: -103.152
Base-Backbone interact. energy: -0.203
local terms energy: -108.974082
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -33.490
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: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -380.145410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.145410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.145410 (E_RNA)
where:
Base-Base interactions energy: -272.468
where: short stacking energy: -114.432
Base-Backbone interact. energy: -0.282
local terms energy: -107.395440
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -32.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -123.499705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.499705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.499705 (E_RNA)
where:
Base-Base interactions energy: -47.944
where: short stacking energy: -40.628
Base-Backbone interact. energy: -0.701
local terms energy: -74.854790
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -110.349981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.349981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.349981 (E_RNA)
where:
Base-Base interactions energy: -34.565
where: short stacking energy: -34.565
Base-Backbone interact. energy: -0.471
local terms energy: -75.314063
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: 0.200
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: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -421.666933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.666933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.666933 (E_RNA)
where:
Base-Base interactions energy: -299.422
where: short stacking energy: -123.726
Base-Backbone interact. energy: -0.002
local terms energy: -122.242395
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -36.924
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: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -409.848639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.848639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.848639 (E_RNA)
where:
Base-Base interactions energy: -285.463
where: short stacking energy: -116.656
Base-Backbone interact. energy: -0.209
local terms energy: -124.176429
where:
bonds (distance) C4'-P energy: -25.795
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -26.275
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -34.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -412.976580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.976580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.976580 (E_RNA)
where:
Base-Base interactions energy: -292.960
where: short stacking energy: -122.158
Base-Backbone interact. energy: -0.003
local terms energy: -120.013569
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -36.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -399.151919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.151919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.151919 (E_RNA)
where:
Base-Base interactions energy: -289.003
where: short stacking energy: -120.721
Base-Backbone interact. energy: -0.593
local terms energy: -109.555903
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -13.541
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: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -403.988695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.988695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.988695 (E_RNA)
where:
Base-Base interactions energy: -282.039
where: short stacking energy: -120.591
Base-Backbone interact. energy: 0.737
local terms energy: -122.686714
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -36.244
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: 463
Temperature: 1.150000
Total energy: -389.626245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.626245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.626245 (E_RNA)
where:
Base-Base interactions energy: -276.735
where: short stacking energy: -116.479
Base-Backbone interact. energy: -0.116
local terms energy: -112.774920
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -34.660
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: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -392.032354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.032354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.032354 (E_RNA)
where:
Base-Base interactions energy: -277.928
where: short stacking energy: -114.573
Base-Backbone interact. energy: -0.048
local terms energy: -114.056376
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -38.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -387.124837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.124837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.124837 (E_RNA)
where:
Base-Base interactions energy: -279.850
where: short stacking energy: -113.968
Base-Backbone interact. energy: -0.586
local terms energy: -106.689016
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -32.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -113.082743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.082743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.082743 (E_RNA)
where:
Base-Base interactions energy: -45.262
where: short stacking energy: -37.495
Base-Backbone interact. energy: -0.187
local terms energy: -67.634418
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -111.002710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.002710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.002710 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -29.990
Base-Backbone interact. energy: -0.194
local terms energy: -76.440251
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -4.905
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: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -423.331736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.331736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.331736 (E_RNA)
where:
Base-Base interactions energy: -296.601
where: short stacking energy: -122.228
Base-Backbone interact. energy: -0.453
local terms energy: -126.277552
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -18.435
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: 2, replica: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -415.342266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.342266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.342266 (E_RNA)
where:
Base-Base interactions energy: -294.952
where: short stacking energy: -126.290
Base-Backbone interact. energy: -0.291
local terms energy: -120.099823
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -16.224
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: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -409.374154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.374154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.374154 (E_RNA)
where:
Base-Base interactions energy: -290.333
where: short stacking energy: -125.061
Base-Backbone interact. energy: 0.263
local terms energy: -119.304682
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -25.964
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -35.331
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: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -409.171740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.171740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.171740 (E_RNA)
where:
Base-Base interactions energy: -290.661
where: short stacking energy: -121.151
Base-Backbone interact. energy: -0.002
local terms energy: -118.509091
where:
bonds (distance) C4'-P energy: -24.998
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -36.430
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: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -400.565206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.565206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.565206 (E_RNA)
where:
Base-Base interactions energy: -285.532
where: short stacking energy: -116.432
Base-Backbone interact. energy: -0.002
local terms energy: -115.031014
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -33.825
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: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -388.623457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.623457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.623457 (E_RNA)
where:
Base-Base interactions energy: -273.317
where: short stacking energy: -117.731
Base-Backbone interact. energy: -0.110
local terms energy: -115.197120
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -13.374
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: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -403.237052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.237052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.237052 (E_RNA)
where:
Base-Base interactions energy: -283.945
where: short stacking energy: -114.586
Base-Backbone interact. energy: -0.001
local terms energy: -119.290325
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -32.330
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: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -381.613335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.613335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.613335 (E_RNA)
where:
Base-Base interactions energy: -271.191
where: short stacking energy: -110.562
Base-Backbone interact. energy: -0.095
local terms energy: -110.327975
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -37.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -115.276903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.276903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.276903 (E_RNA)
where:
Base-Base interactions energy: -37.355
where: short stacking energy: -37.052
Base-Backbone interact. energy: -0.117
local terms energy: -77.805719
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -7.712
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -112.206487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.206487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.206487 (E_RNA)
where:
Base-Base interactions energy: -51.667
where: short stacking energy: -33.164
Base-Backbone interact. energy: -0.410
local terms energy: -60.128778
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -13.863
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -419.950497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.950497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.950497 (E_RNA)
where:
Base-Base interactions energy: -297.377
where: short stacking energy: -123.283
Base-Backbone interact. energy: -0.608
local terms energy: -121.965907
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -35.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -415.774402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.774402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.774402 (E_RNA)
where:
Base-Base interactions energy: -296.693
where: short stacking energy: -130.603
Base-Backbone interact. energy: -0.001
local terms energy: -119.080636
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -23.711
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -36.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -402.324634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.324634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.324634 (E_RNA)
where:
Base-Base interactions energy: -280.332
where: short stacking energy: -115.600
Base-Backbone interact. energy: -0.604
local terms energy: -121.389195
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -35.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -417.683552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.683552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.683552 (E_RNA)
where:
Base-Base interactions energy: -296.220
where: short stacking energy: -122.063
Base-Backbone interact. energy: 0.130
local terms energy: -121.593651
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -35.195
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: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -395.222251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.222251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.222251 (E_RNA)
where:
Base-Base interactions energy: -274.043
where: short stacking energy: -110.346
Base-Backbone interact. energy: 0.794
local terms energy: -121.973207
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -34.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -394.669480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.669480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.669480 (E_RNA)
where:
Base-Base interactions energy: -277.333
where: short stacking energy: -107.709
Base-Backbone interact. energy: -0.019
local terms energy: -117.317737
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -31.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -389.642940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.642940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.642940 (E_RNA)
where:
Base-Base interactions energy: -278.212
where: short stacking energy: -113.549
Base-Backbone interact. energy: -0.061
local terms energy: -111.370283
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -34.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -382.355179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.355179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.355179 (E_RNA)
where:
Base-Base interactions energy: -264.509
where: short stacking energy: -108.137
Base-Backbone interact. energy: -0.059
local terms energy: -117.787221
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -33.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -99.820293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.820293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.820293 (E_RNA)
where:
Base-Base interactions energy: -40.777
where: short stacking energy: -36.803
Base-Backbone interact. energy: 0.228
local terms energy: -59.271849
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -107.838044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.838044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.838044 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -28.377
Base-Backbone interact. energy: 0.308
local terms energy: -63.235932
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: 4.697
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: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -420.191246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.191246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.191246 (E_RNA)
where:
Base-Base interactions energy: -303.997
where: short stacking energy: -128.803
Base-Backbone interact. energy: -0.005
local terms energy: -116.189723
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -35.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -415.371262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.371262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.371262 (E_RNA)
where:
Base-Base interactions energy: -283.351
where: short stacking energy: -118.125
Base-Backbone interact. energy: -0.824
local terms energy: -131.196322
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -36.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -405.259420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.259420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.259420 (E_RNA)
where:
Base-Base interactions energy: -294.319
where: short stacking energy: -120.884
Base-Backbone interact. energy: -0.042
local terms energy: -110.897598
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -33.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -415.260835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.260835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.260835 (E_RNA)
where:
Base-Base interactions energy: -296.957
where: short stacking energy: -126.308
Base-Backbone interact. energy: -0.575
local terms energy: -117.728935
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -37.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -395.582218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.582218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.582218 (E_RNA)
where:
Base-Base interactions energy: -285.419
where: short stacking energy: -117.295
Base-Backbone interact. energy: -0.002
local terms energy: -110.161117
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -34.975
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: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -391.345639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.345639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.345639 (E_RNA)
where:
Base-Base interactions energy: -276.713
where: short stacking energy: -106.680
Base-Backbone interact. energy: -0.027
local terms energy: -114.605077
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -25.137
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -32.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -385.592114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.592114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.592114 (E_RNA)
where:
Base-Base interactions energy: -274.273
where: short stacking energy: -112.743
Base-Backbone interact. energy: -0.007
local terms energy: -111.312368
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -34.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -393.903314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.903314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.903314 (E_RNA)
where:
Base-Base interactions energy: -285.421
where: short stacking energy: -119.149
Base-Backbone interact. energy: -0.002
local terms energy: -108.480883
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -34.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -109.825346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.825346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.825346 (E_RNA)
where:
Base-Base interactions energy: -35.642
where: short stacking energy: -30.737
Base-Backbone interact. energy: -0.052
local terms energy: -74.131080
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -14.350
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -104.070802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.070802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.070802 (E_RNA)
where:
Base-Base interactions energy: -43.039
where: short stacking energy: -35.029
Base-Backbone interact. energy: -0.494
local terms energy: -60.537616
where:
bonds (distance) C4'-P energy: -4.885
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: 0.388
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: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -424.465077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.465077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.465077 (E_RNA)
where:
Base-Base interactions energy: -303.625
where: short stacking energy: -126.706
Base-Backbone interact. energy: -0.263
local terms energy: -120.576870
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -16.701
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: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -418.975895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.975895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.975895 (E_RNA)
where:
Base-Base interactions energy: -294.559
where: short stacking energy: -125.344
Base-Backbone interact. energy: -0.057
local terms energy: -124.359556
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -36.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -409.473575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.473575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.473575 (E_RNA)
where:
Base-Base interactions energy: -293.642
where: short stacking energy: -123.145
Base-Backbone interact. energy: -0.001
local terms energy: -115.830803
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -36.672
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: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -404.352990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.352990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.352990 (E_RNA)
where:
Base-Base interactions energy: -285.301
where: short stacking energy: -113.300
Base-Backbone interact. energy: 0.427
local terms energy: -119.478467
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -24.047
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -32.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -392.495122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.495122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.495122 (E_RNA)
where:
Base-Base interactions energy: -289.201
where: short stacking energy: -118.715
Base-Backbone interact. energy: -0.818
local terms energy: -102.475721
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -33.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -397.679187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.679187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.679187 (E_RNA)
where:
Base-Base interactions energy: -285.465
where: short stacking energy: -118.166
Base-Backbone interact. energy: -0.026
local terms energy: -112.188690
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -36.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -378.547727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.547727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.547727 (E_RNA)
where:
Base-Base interactions energy: -274.754
where: short stacking energy: -114.569
Base-Backbone interact. energy: -0.053
local terms energy: -103.741260
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -12.640
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: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -386.191509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.191509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.191509 (E_RNA)
where:
Base-Base interactions energy: -275.962
where: short stacking energy: -107.969
Base-Backbone interact. energy: 1.891
local terms energy: -112.121036
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -34.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -118.266797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.266797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.266797 (E_RNA)
where:
Base-Base interactions energy: -47.561
where: short stacking energy: -27.923
Base-Backbone interact. energy: -0.731
local terms energy: -69.975098
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: 0.604
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: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -137.237137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.237137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.237137 (E_RNA)
where:
Base-Base interactions energy: -71.884
where: short stacking energy: -22.601
Base-Backbone interact. energy: 0.344
local terms energy: -65.696453
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -6.280
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: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -417.047279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.047279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.047279 (E_RNA)
where:
Base-Base interactions energy: -289.819
where: short stacking energy: -122.304
Base-Backbone interact. energy: -0.463
local terms energy: -126.765482
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -27.492
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -34.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -422.361245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.361245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.361245 (E_RNA)
where:
Base-Base interactions energy: -297.487
where: short stacking energy: -120.723
Base-Backbone interact. energy: -0.003
local terms energy: -124.871954
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -37.956
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: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -405.262290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.262290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.262290 (E_RNA)
where:
Base-Base interactions energy: -295.623
where: short stacking energy: -119.248
Base-Backbone interact. energy: -0.214
local terms energy: -109.424898
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -35.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -408.710817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.710817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.710817 (E_RNA)
where:
Base-Base interactions energy: -283.997
where: short stacking energy: -116.856
Base-Backbone interact. energy: -0.159
local terms energy: -124.554063
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -35.052
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: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -406.432462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.432462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.432462 (E_RNA)
where:
Base-Base interactions energy: -286.592
where: short stacking energy: -121.205
Base-Backbone interact. energy: -0.242
local terms energy: -119.598560
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -35.147
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: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -397.005748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.005748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.005748 (E_RNA)
where:
Base-Base interactions energy: -281.524
where: short stacking energy: -112.886
Base-Backbone interact. energy: -1.212
local terms energy: -114.269616
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -35.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -375.152626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.152626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.152626 (E_RNA)
where:
Base-Base interactions energy: -262.790
where: short stacking energy: -113.699
Base-Backbone interact. energy: -0.003
local terms energy: -112.359352
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -33.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -388.278383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.278383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.278383 (E_RNA)
where:
Base-Base interactions energy: -274.711
where: short stacking energy: -112.141
Base-Backbone interact. energy: -0.583
local terms energy: -112.984347
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -35.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -150.572861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.572861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.572861 (E_RNA)
where:
Base-Base interactions energy: -81.209
where: short stacking energy: -36.838
Base-Backbone interact. energy: -1.277
local terms energy: -68.087080
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -112.079058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.079058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.079058 (E_RNA)
where:
Base-Base interactions energy: -43.704
where: short stacking energy: -40.650
Base-Backbone interact. energy: -0.229
local terms energy: -68.146372
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -421.119556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.119556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.119556 (E_RNA)
where:
Base-Base interactions energy: -297.604
where: short stacking energy: -123.396
Base-Backbone interact. energy: -0.713
local terms energy: -122.802382
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -35.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -422.416251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.416251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.416251 (E_RNA)
where:
Base-Base interactions energy: -293.334
where: short stacking energy: -121.557
Base-Backbone interact. energy: -0.002
local terms energy: -129.080328
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -23.016
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -36.088
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: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -409.334139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.334139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.334139 (E_RNA)
where:
Base-Base interactions energy: -297.709
where: short stacking energy: -121.150
Base-Backbone interact. energy: -0.054
local terms energy: -111.570625
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -12.874
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -405.456251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.456251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.456251 (E_RNA)
where:
Base-Base interactions energy: -286.127
where: short stacking energy: -120.828
Base-Backbone interact. energy: -0.001
local terms energy: -119.327693
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -19.736
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: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -396.947502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.947502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.947502 (E_RNA)
where:
Base-Base interactions energy: -279.734
where: short stacking energy: -119.859
Base-Backbone interact. energy: -0.020
local terms energy: -117.194207
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -36.955
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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -388.200802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.200802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.200802 (E_RNA)
where:
Base-Base interactions energy: -275.375
where: short stacking energy: -114.827
Base-Backbone interact. energy: -0.044
local terms energy: -112.781819
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -33.651
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: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -384.961625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.961625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.961625 (E_RNA)
where:
Base-Base interactions energy: -279.489
where: short stacking energy: -106.844
Base-Backbone interact. energy: -0.274
local terms energy: -105.199027
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -32.494
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: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -369.932984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.932984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.932984 (E_RNA)
where:
Base-Base interactions energy: -271.050
where: short stacking energy: -110.917
Base-Backbone interact. energy: -0.012
local terms energy: -98.871095
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -34.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -119.852870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.852870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.852870 (E_RNA)
where:
Base-Base interactions energy: -61.554
where: short stacking energy: -24.751
Base-Backbone interact. energy: -1.890
local terms energy: -56.408068
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: 2.964
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: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -110.592394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.592394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.592394 (E_RNA)
where:
Base-Base interactions energy: -35.058
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.096
local terms energy: -75.438462
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -428.769787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.769787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.769787 (E_RNA)
where:
Base-Base interactions energy: -299.479
where: short stacking energy: -121.070
Base-Backbone interact. energy: 0.522
local terms energy: -129.813467
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -37.350
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: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -417.223494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.223494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.223494 (E_RNA)
where:
Base-Base interactions energy: -298.611
where: short stacking energy: -123.921
Base-Backbone interact. energy: -0.004
local terms energy: -118.609035
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -20.554
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: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -415.737727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.737727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.737727 (E_RNA)
where:
Base-Base interactions energy: -288.863
where: short stacking energy: -113.010
Base-Backbone interact. energy: -1.106
local terms energy: -125.768750
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -35.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -396.854185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.854185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.854185 (E_RNA)
where:
Base-Base interactions energy: -275.426
where: short stacking energy: -117.091
Base-Backbone interact. energy: -0.059
local terms energy: -121.369145
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -35.428
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: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -400.059687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.059687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.059687 (E_RNA)
where:
Base-Base interactions energy: -286.085
where: short stacking energy: -114.119
Base-Backbone interact. energy: -0.967
local terms energy: -113.007659
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -33.491
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: 470
Temperature: 1.150000
Total energy: -395.934469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.934469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.934469 (E_RNA)
where:
Base-Base interactions energy: -276.471
where: short stacking energy: -112.108
Base-Backbone interact. energy: -0.282
local terms energy: -119.181687
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -24.178
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -35.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -392.539643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.539643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.539643 (E_RNA)
where:
Base-Base interactions energy: -285.197
where: short stacking energy: -113.030
Base-Backbone interact. energy: -1.321
local terms energy: -106.022512
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -30.702
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: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -377.481636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.481636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.481636 (E_RNA)
where:
Base-Base interactions energy: -272.190
where: short stacking energy: -115.083
Base-Backbone interact. energy: 0.531
local terms energy: -105.821961
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -34.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -117.262298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.262298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.262298 (E_RNA)
where:
Base-Base interactions energy: -42.356
where: short stacking energy: -42.334
Base-Backbone interact. energy: -0.311
local terms energy: -74.594677
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -150.519925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.519925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.519925 (E_RNA)
where:
Base-Base interactions energy: -69.504
where: short stacking energy: -40.330
Base-Backbone interact. energy: -0.065
local terms energy: -80.950579
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -8.485
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: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -420.659355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.659355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.659355 (E_RNA)
where:
Base-Base interactions energy: -293.117
where: short stacking energy: -124.527
Base-Backbone interact. energy: -0.013
local terms energy: -127.528830
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -26.088
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -37.497
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: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -413.173153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.173153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.173153 (E_RNA)
where:
Base-Base interactions energy: -297.885
where: short stacking energy: -122.807
Base-Backbone interact. energy: -0.055
local terms energy: -115.233668
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -33.887
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: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -407.858405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.858405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.858405 (E_RNA)
where:
Base-Base interactions energy: -292.760
where: short stacking energy: -122.358
Base-Backbone interact. energy: -0.410
local terms energy: -114.688293
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -35.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -399.834135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.834135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.834135 (E_RNA)
where:
Base-Base interactions energy: -295.550
where: short stacking energy: -122.269
Base-Backbone interact. energy: -0.002
local terms energy: -104.281648
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -35.746
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: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -400.314349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.314349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.314349 (E_RNA)
where:
Base-Base interactions energy: -290.007
where: short stacking energy: -120.821
Base-Backbone interact. energy: -0.102
local terms energy: -110.204494
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -31.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -402.568832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.568832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.568832 (E_RNA)
where:
Base-Base interactions energy: -285.207
where: short stacking energy: -120.507
Base-Backbone interact. energy: -0.120
local terms energy: -117.242569
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -35.567
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: 471
Temperature: 1.200000
Total energy: -393.048707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.048707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.048707 (E_RNA)
where:
Base-Base interactions energy: -275.996
where: short stacking energy: -110.233
Base-Backbone interact. energy: -0.137
local terms energy: -116.915675
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -35.154
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: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -383.743308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.743308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.743308 (E_RNA)
where:
Base-Base interactions energy: -267.155
where: short stacking energy: -110.508
Base-Backbone interact. energy: 2.292
local terms energy: -118.880430
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -26.266
flat angles P-C4'-P energy: -19.220
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: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -100.945749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.945749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.945749 (E_RNA)
where:
Base-Base interactions energy: -30.864
where: short stacking energy: -30.864
Base-Backbone interact. energy: 0.605
local terms energy: -70.686480
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -10.305
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: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -106.852215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.852215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.852215 (E_RNA)
where:
Base-Base interactions energy: -33.621
where: short stacking energy: -31.074
Base-Backbone interact. energy: 1.135
local terms energy: -74.366179
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -421.270675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.270675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.270675 (E_RNA)
where:
Base-Base interactions energy: -300.468
where: short stacking energy: -122.410
Base-Backbone interact. energy: -0.454
local terms energy: -120.349042
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -35.176
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: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -417.429753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.429753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.429753 (E_RNA)
where:
Base-Base interactions energy: -305.505
where: short stacking energy: -127.263
Base-Backbone interact. energy: -0.008
local terms energy: -111.916620
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -34.562
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: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -412.523864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.523864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.523864 (E_RNA)
where:
Base-Base interactions energy: -289.192
where: short stacking energy: -118.351
Base-Backbone interact. energy: -0.015
local terms energy: -123.316559
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -34.427
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: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -405.386551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.386551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.386551 (E_RNA)
where:
Base-Base interactions energy: -287.713
where: short stacking energy: -120.392
Base-Backbone interact. energy: -0.410
local terms energy: -117.263852
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -35.450
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: 472
Temperature: 1.100000
Total energy: -404.051251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.051251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.051251 (E_RNA)
where:
Base-Base interactions energy: -284.796
where: short stacking energy: -115.750
Base-Backbone interact. energy: -0.004
local terms energy: -119.251153
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -37.670
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: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -386.872374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.872374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.872374 (E_RNA)
where:
Base-Base interactions energy: -276.695
where: short stacking energy: -111.955
Base-Backbone interact. energy: -0.065
local terms energy: -110.112731
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -31.647
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: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -385.062840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.062840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.062840 (E_RNA)
where:
Base-Base interactions energy: -275.443
where: short stacking energy: -107.839
Base-Backbone interact. energy: -0.686
local terms energy: -108.933802
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -32.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -382.881949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.881949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.881949 (E_RNA)
where:
Base-Base interactions energy: -285.608
where: short stacking energy: -117.105
Base-Backbone interact. energy: -0.008
local terms energy: -97.265436
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -31.631
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: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -114.062377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.062377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.062377 (E_RNA)
where:
Base-Base interactions energy: -55.029
where: short stacking energy: -34.353
Base-Backbone interact. energy: 1.605
local terms energy: -60.639203
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -106.394157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.394157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.394157 (E_RNA)
where:
Base-Base interactions energy: -38.727
where: short stacking energy: -21.409
Base-Backbone interact. energy: -2.346
local terms energy: -65.321274
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -418.861382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.861382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.861382 (E_RNA)
where:
Base-Base interactions energy: -293.594
where: short stacking energy: -119.987
Base-Backbone interact. energy: -0.589
local terms energy: -124.678073
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -20.732
tors. eta vs tors. theta energy: -37.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -416.483238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.483238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.483238 (E_RNA)
where:
Base-Base interactions energy: -294.460
where: short stacking energy: -125.119
Base-Backbone interact. energy: -0.023
local terms energy: -122.000573
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -36.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -410.093287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.093287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.093287 (E_RNA)
where:
Base-Base interactions energy: -289.901
where: short stacking energy: -117.717
Base-Backbone interact. energy: -0.633
local terms energy: -119.559286
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -37.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -406.233805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.233805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.233805 (E_RNA)
where:
Base-Base interactions energy: -289.218
where: short stacking energy: -124.005
Base-Backbone interact. energy: -0.361
local terms energy: -116.654087
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -35.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -400.479009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.479009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.479009 (E_RNA)
where:
Base-Base interactions energy: -283.280
where: short stacking energy: -116.491
Base-Backbone interact. energy: -0.577
local terms energy: -116.622324
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -34.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -383.657676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.657676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.657676 (E_RNA)
where:
Base-Base interactions energy: -277.574
where: short stacking energy: -111.527
Base-Backbone interact. energy: -0.003
local terms energy: -106.079909
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -34.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -395.771464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.771464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.771464 (E_RNA)
where:
Base-Base interactions energy: -276.954
where: short stacking energy: -114.183
Base-Backbone interact. energy: -0.045
local terms energy: -118.772686
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -34.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -388.953657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.953657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.953657 (E_RNA)
where:
Base-Base interactions energy: -274.033
where: short stacking energy: -112.403
Base-Backbone interact. energy: -0.003
local terms energy: -114.917133
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -25.992
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -35.286
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: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -140.244282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.244282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.244282 (E_RNA)
where:
Base-Base interactions energy: -68.396
where: short stacking energy: -51.537
Base-Backbone interact. energy: 0.038
local terms energy: -71.886290
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -8.525
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: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -104.932767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.932767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.932767 (E_RNA)
where:
Base-Base interactions energy: -31.712
where: short stacking energy: -14.794
Base-Backbone interact. energy: -0.304
local terms energy: -72.916525
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -0.129
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: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -419.993595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.993595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.993595 (E_RNA)
where:
Base-Base interactions energy: -299.461
where: short stacking energy: -124.270
Base-Backbone interact. energy: -0.009
local terms energy: -120.524181
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -34.435
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: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -411.455284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.455284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.455284 (E_RNA)
where:
Base-Base interactions energy: -295.463
where: short stacking energy: -118.824
Base-Backbone interact. energy: -0.002
local terms energy: -115.990110
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -36.453
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: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -411.039502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.039502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.039502 (E_RNA)
where:
Base-Base interactions energy: -282.956
where: short stacking energy: -119.872
Base-Backbone interact. energy: -0.591
local terms energy: -127.492276
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -36.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -403.501288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.501288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.501288 (E_RNA)
where:
Base-Base interactions energy: -284.299
where: short stacking energy: -120.809
Base-Backbone interact. energy: -0.001
local terms energy: -119.201266
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -35.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -392.473919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.473919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.473919 (E_RNA)
where:
Base-Base interactions energy: -279.256
where: short stacking energy: -114.131
Base-Backbone interact. energy: -0.208
local terms energy: -113.010135
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -17.493
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: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -404.292778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.292778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.292778 (E_RNA)
where:
Base-Base interactions energy: -285.357
where: short stacking energy: -118.519
Base-Backbone interact. energy: -0.004
local terms energy: -118.931434
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -35.712
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: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -389.533582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.533582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.533582 (E_RNA)
where:
Base-Base interactions energy: -279.634
where: short stacking energy: -117.437
Base-Backbone interact. energy: -0.128
local terms energy: -109.772390
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -35.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -387.358651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.358651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.358651 (E_RNA)
where:
Base-Base interactions energy: -274.853
where: short stacking energy: -105.814
Base-Backbone interact. energy: -0.259
local terms energy: -112.246091
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -32.586
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: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -124.846655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.846655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.846655 (E_RNA)
where:
Base-Base interactions energy: -42.643
where: short stacking energy: -42.176
Base-Backbone interact. energy: -0.264
local terms energy: -81.940045
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -11.728
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: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -100.386372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.386372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.386372 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -27.390
Base-Backbone interact. energy: -0.500
local terms energy: -64.100798
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: 7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -413.859035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.859035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.859035 (E_RNA)
where:
Base-Base interactions energy: -290.617
where: short stacking energy: -121.612
Base-Backbone interact. energy: -0.057
local terms energy: -123.185679
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -34.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -416.707219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.707219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.707219 (E_RNA)
where:
Base-Base interactions energy: -295.405
where: short stacking energy: -120.901
Base-Backbone interact. energy: -0.445
local terms energy: -120.857467
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -17.151
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: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -414.649889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.649889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.649889 (E_RNA)
where:
Base-Base interactions energy: -293.006
where: short stacking energy: -123.624
Base-Backbone interact. energy: -0.089
local terms energy: -121.555383
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -33.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -407.880378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.880378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.880378 (E_RNA)
where:
Base-Base interactions energy: -291.185
where: short stacking energy: -118.185
Base-Backbone interact. energy: -0.026
local terms energy: -116.669953
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -16.948
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: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -399.147865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.147865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.147865 (E_RNA)
where:
Base-Base interactions energy: -280.226
where: short stacking energy: -116.350
Base-Backbone interact. energy: -0.685
local terms energy: -118.236205
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -26.177
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -37.185
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: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -394.217147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.217147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.217147 (E_RNA)
where:
Base-Base interactions energy: -286.034
where: short stacking energy: -116.892
Base-Backbone interact. energy: -0.001
local terms energy: -108.182311
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -35.601
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: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -386.979180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.979180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.979180 (E_RNA)
where:
Base-Base interactions energy: -282.747
where: short stacking energy: -111.751
Base-Backbone interact. energy: -0.005
local terms energy: -104.227526
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -31.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -382.668033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.668033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.668033 (E_RNA)
where:
Base-Base interactions energy: -266.974
where: short stacking energy: -111.471
Base-Backbone interact. energy: -0.016
local terms energy: -115.678147
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -25.171
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -33.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -119.678317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.678317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.678317 (E_RNA)
where:
Base-Base interactions energy: -50.715
where: short stacking energy: -42.181
Base-Backbone interact. energy: 3.436
local terms energy: -72.398993
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -113.475075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.475075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.475075 (E_RNA)
where:
Base-Base interactions energy: -39.516
where: short stacking energy: -36.295
Base-Backbone interact. energy: -0.055
local terms energy: -73.904071
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -0.898
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: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -419.079549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.079549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.079549 (E_RNA)
where:
Base-Base interactions energy: -291.850
where: short stacking energy: -119.557
Base-Backbone interact. energy: 0.181
local terms energy: -127.410080
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -35.410
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: 476
Temperature: 0.950000
Total energy: -413.249677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.249677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.249677 (E_RNA)
where:
Base-Base interactions energy: -295.943
where: short stacking energy: -115.718
Base-Backbone interact. energy: -0.007
local terms energy: -117.299879
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -34.932
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: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -414.549825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.549825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.549825 (E_RNA)
where:
Base-Base interactions energy: -289.381
where: short stacking energy: -119.913
Base-Backbone interact. energy: -0.006
local terms energy: -125.163298
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -37.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -402.259106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.259106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.259106 (E_RNA)
where:
Base-Base interactions energy: -288.924
where: short stacking energy: -116.883
Base-Backbone interact. energy: 0.476
local terms energy: -113.810590
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -34.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -394.582295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.582295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.582295 (E_RNA)
where:
Base-Base interactions energy: -278.732
where: short stacking energy: -113.173
Base-Backbone interact. energy: -0.015
local terms energy: -115.834610
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -34.682
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: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -388.983164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.983164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.983164 (E_RNA)
where:
Base-Base interactions energy: -285.612
where: short stacking energy: -116.014
Base-Backbone interact. energy: -0.326
local terms energy: -103.045267
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -31.411
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: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -393.647217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.647217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.647217 (E_RNA)
where:
Base-Base interactions energy: -285.647
where: short stacking energy: -114.737
Base-Backbone interact. energy: -0.003
local terms energy: -107.997104
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -16.842
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: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -389.033769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.033769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.033769 (E_RNA)
where:
Base-Base interactions energy: -278.551
where: short stacking energy: -110.237
Base-Backbone interact. energy: -0.638
local terms energy: -109.844986
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -16.320
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: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -115.982286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.982286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.982286 (E_RNA)
where:
Base-Base interactions energy: -47.668
where: short stacking energy: -39.002
Base-Backbone interact. energy: -0.152
local terms energy: -68.162291
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -9.456
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: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -105.156188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.156188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.156188 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -36.266
Base-Backbone interact. energy: 0.117
local terms energy: -64.468371
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: 0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -426.935239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.935239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.935239 (E_RNA)
where:
Base-Base interactions energy: -301.839
where: short stacking energy: -126.465
Base-Backbone interact. energy: -0.599
local terms energy: -124.496897
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -37.184
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: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -413.205523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.205523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.205523 (E_RNA)
where:
Base-Base interactions energy: -292.867
where: short stacking energy: -121.888
Base-Backbone interact. energy: -0.001
local terms energy: -120.338210
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -35.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -416.561678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.561678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.561678 (E_RNA)
where:
Base-Base interactions energy: -287.427
where: short stacking energy: -126.815
Base-Backbone interact. energy: -0.333
local terms energy: -128.801903
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -36.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -405.170458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.170458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.170458 (E_RNA)
where:
Base-Base interactions energy: -282.211
where: short stacking energy: -110.556
Base-Backbone interact. energy: -0.075
local terms energy: -122.884499
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -34.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -399.199431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.199431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.199431 (E_RNA)
where:
Base-Base interactions energy: -289.601
where: short stacking energy: -118.330
Base-Backbone interact. energy: -0.009
local terms energy: -109.589614
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -36.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -395.402262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.402262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.402262 (E_RNA)
where:
Base-Base interactions energy: -287.324
where: short stacking energy: -116.626
Base-Backbone interact. energy: -0.014
local terms energy: -108.064342
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -32.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -386.743461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.743461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.743461 (E_RNA)
where:
Base-Base interactions energy: -271.038
where: short stacking energy: -115.392
Base-Backbone interact. energy: -0.053
local terms energy: -115.652274
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -369.552643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.552643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.552643 (E_RNA)
where:
Base-Base interactions energy: -257.527
where: short stacking energy: -108.586
Base-Backbone interact. energy: -0.907
local terms energy: -111.118772
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -34.259
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: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -115.424663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.424663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.424663 (E_RNA)
where:
Base-Base interactions energy: -48.252
where: short stacking energy: -41.959
Base-Backbone interact. energy: -0.325
local terms energy: -66.847263
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -1.413
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: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -107.529475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.529475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.529475 (E_RNA)
where:
Base-Base interactions energy: -42.534
where: short stacking energy: -30.962
Base-Backbone interact. energy: -0.505
local terms energy: -64.490723
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -426.562794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.562794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.562794 (E_RNA)
where:
Base-Base interactions energy: -300.460
where: short stacking energy: -125.112
Base-Backbone interact. energy: -0.001
local terms energy: -126.101631
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -33.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -417.138325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.138325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.138325 (E_RNA)
where:
Base-Base interactions energy: -301.052
where: short stacking energy: -124.457
Base-Backbone interact. energy: -0.817
local terms energy: -115.269208
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -37.234
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: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -412.208766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.208766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.208766 (E_RNA)
where:
Base-Base interactions energy: -290.679
where: short stacking energy: -122.986
Base-Backbone interact. energy: -0.008
local terms energy: -121.521269
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -36.184
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: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -409.252592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.252592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.252592 (E_RNA)
where:
Base-Base interactions energy: -286.563
where: short stacking energy: -118.837
Base-Backbone interact. energy: -0.016
local terms energy: -122.674170
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -37.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -406.207823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.207823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.207823 (E_RNA)
where:
Base-Base interactions energy: -284.978
where: short stacking energy: -116.937
Base-Backbone interact. energy: -0.048
local terms energy: -121.181729
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -36.363
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: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -385.376678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.376678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.376678 (E_RNA)
where:
Base-Base interactions energy: -274.930
where: short stacking energy: -106.869
Base-Backbone interact. energy: 0.501
local terms energy: -110.947587
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -17.946
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: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -359.461666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.461666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.461666 (E_RNA)
where:
Base-Base interactions energy: -256.534
where: short stacking energy: -97.100
Base-Backbone interact. energy: -0.104
local terms energy: -102.824156
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -371.259467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.259467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.259467 (E_RNA)
where:
Base-Base interactions energy: -268.912
where: short stacking energy: -105.656
Base-Backbone interact. energy: -0.151
local terms energy: -102.196169
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -25.774
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -30.807
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: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -121.877951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.877951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.877951 (E_RNA)
where:
Base-Base interactions energy: -51.434
where: short stacking energy: -35.318
Base-Backbone interact. energy: 1.167
local terms energy: -71.610981
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -100.992302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.992302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.992302 (E_RNA)
where:
Base-Base interactions energy: -29.542
where: short stacking energy: -30.034
Base-Backbone interact. energy: -0.204
local terms energy: -71.246831
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: 2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -418.430379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.430379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.430379 (E_RNA)
where:
Base-Base interactions energy: -289.188
where: short stacking energy: -113.310
Base-Backbone interact. energy: -1.139
local terms energy: -128.103405
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -28.061
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -34.903
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: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -418.067405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.067405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.067405 (E_RNA)
where:
Base-Base interactions energy: -296.025
where: short stacking energy: -125.314
Base-Backbone interact. energy: -0.212
local terms energy: -121.830150
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -26.815
flat angles P-C4'-P energy: -19.744
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: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -406.482136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.482136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.482136 (E_RNA)
where:
Base-Base interactions energy: -289.766
where: short stacking energy: -118.353
Base-Backbone interact. energy: -0.007
local terms energy: -116.709133
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -34.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -400.604772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.604772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.604772 (E_RNA)
where:
Base-Base interactions energy: -281.074
where: short stacking energy: -109.807
Base-Backbone interact. energy: -0.053
local terms energy: -119.478305
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -32.317
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: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -406.241407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.241407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.241407 (E_RNA)
where:
Base-Base interactions energy: -288.165
where: short stacking energy: -119.314
Base-Backbone interact. energy: 0.409
local terms energy: -118.485791
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -394.236519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.236519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.236519 (E_RNA)
where:
Base-Base interactions energy: -272.385
where: short stacking energy: -109.326
Base-Backbone interact. energy: -0.291
local terms energy: -121.560794
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -35.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -393.058252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.058252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.058252 (E_RNA)
where:
Base-Base interactions energy: -284.176
where: short stacking energy: -120.787
Base-Backbone interact. energy: -0.000
local terms energy: -108.881512
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -32.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -369.870735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.870735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.870735 (E_RNA)
where:
Base-Base interactions energy: -258.596
where: short stacking energy: -103.106
Base-Backbone interact. energy: -0.420
local terms energy: -110.854757
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -120.617718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.617718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.617718 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -43.363
Base-Backbone interact. energy: 0.648
local terms energy: -74.505124
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -10.135
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: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -102.542369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.542369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.542369 (E_RNA)
where:
Base-Base interactions energy: -34.980
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.465
local terms energy: -67.096515
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -14.180
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: 480
Temperature: 0.900000
Total energy: -419.545682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.545682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.545682 (E_RNA)
where:
Base-Base interactions energy: -288.671
where: short stacking energy: -118.832
Base-Backbone interact. energy: -0.199
local terms energy: -130.675123
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -36.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -413.186704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.186704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.186704 (E_RNA)
where:
Base-Base interactions energy: -288.679
where: short stacking energy: -118.246
Base-Backbone interact. energy: -0.317
local terms energy: -124.190730
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -21.297
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: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -415.013245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.013245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.013245 (E_RNA)
where:
Base-Base interactions energy: -299.844
where: short stacking energy: -124.607
Base-Backbone interact. energy: -0.007
local terms energy: -115.161713
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -19.139
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: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -402.464053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.464053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.464053 (E_RNA)
where:
Base-Base interactions energy: -286.502
where: short stacking energy: -114.983
Base-Backbone interact. energy: -0.615
local terms energy: -115.346455
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -34.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -398.379474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.379474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.379474 (E_RNA)
where:
Base-Base interactions energy: -283.463
where: short stacking energy: -118.776
Base-Backbone interact. energy: -0.403
local terms energy: -114.513516
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -34.358
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: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -397.723480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.723480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.723480 (E_RNA)
where:
Base-Base interactions energy: -283.608
where: short stacking energy: -111.626
Base-Backbone interact. energy: 1.880
local terms energy: -115.995263
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -32.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -387.468556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.468556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.468556 (E_RNA)
where:
Base-Base interactions energy: -282.616
where: short stacking energy: -111.048
Base-Backbone interact. energy: -0.159
local terms energy: -104.693569
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -36.337
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: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -375.284566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.284566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.284566 (E_RNA)
where:
Base-Base interactions energy: -265.510
where: short stacking energy: -106.021
Base-Backbone interact. energy: -0.026
local terms energy: -109.749200
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -33.380
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: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -119.926327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.926327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.926327 (E_RNA)
where:
Base-Base interactions energy: -48.904
where: short stacking energy: -48.850
Base-Backbone interact. energy: -0.067
local terms energy: -70.955793
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -104.954897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.954897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.954897 (E_RNA)
where:
Base-Base interactions energy: -39.185
where: short stacking energy: -35.711
Base-Backbone interact. energy: 3.208
local terms energy: -68.978197
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: 2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -421.453432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.453432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.453432 (E_RNA)
where:
Base-Base interactions energy: -297.601
where: short stacking energy: -125.459
Base-Backbone interact. energy: -0.106
local terms energy: -123.746204
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -416.965539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.965539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.965539 (E_RNA)
where:
Base-Base interactions energy: -300.193
where: short stacking energy: -125.114
Base-Backbone interact. energy: -0.590
local terms energy: -116.183273
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -35.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -415.682679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.682679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.682679 (E_RNA)
where:
Base-Base interactions energy: -291.279
where: short stacking energy: -118.822
Base-Backbone interact. energy: -0.360
local terms energy: -124.043329
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -36.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -414.507715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.507715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.507715 (E_RNA)
where:
Base-Base interactions energy: -295.056
where: short stacking energy: -122.174
Base-Backbone interact. energy: -0.003
local terms energy: -119.448106
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -34.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -395.564377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.564377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.564377 (E_RNA)
where:
Base-Base interactions energy: -278.431
where: short stacking energy: -107.636
Base-Backbone interact. energy: -0.001
local terms energy: -117.132645
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -19.778
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: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -396.467358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.467358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.467358 (E_RNA)
where:
Base-Base interactions energy: -280.976
where: short stacking energy: -115.048
Base-Backbone interact. energy: -0.346
local terms energy: -115.145511
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -36.009
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: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -391.780321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.780321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.780321 (E_RNA)
where:
Base-Base interactions energy: -278.927
where: short stacking energy: -115.129
Base-Backbone interact. energy: -0.001
local terms energy: -112.852747
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -36.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -377.629375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.629375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.629375 (E_RNA)
where:
Base-Base interactions energy: -275.230
where: short stacking energy: -110.222
Base-Backbone interact. energy: -0.114
local terms energy: -102.285417
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -32.766
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: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -116.194102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.194102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.194102 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -36.603
Base-Backbone interact. energy: 1.647
local terms energy: -81.238576
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -137.007696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.007696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.007696 (E_RNA)
where:
Base-Base interactions energy: -70.795
where: short stacking energy: -41.403
Base-Backbone interact. energy: -0.164
local terms energy: -66.049018
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.381
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: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -424.911540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.911540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.911540 (E_RNA)
where:
Base-Base interactions energy: -298.573
where: short stacking energy: -123.101
Base-Backbone interact. energy: -0.794
local terms energy: -125.545036
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -37.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -419.564058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.564058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.564058 (E_RNA)
where:
Base-Base interactions energy: -297.757
where: short stacking energy: -125.246
Base-Backbone interact. energy: 0.366
local terms energy: -122.172640
where:
bonds (distance) C4'-P energy: -24.753
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -33.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -410.117908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.117908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.117908 (E_RNA)
where:
Base-Base interactions energy: -290.511
where: short stacking energy: -119.308
Base-Backbone interact. energy: -0.422
local terms energy: -119.184878
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -36.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -399.187432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.187432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.187432 (E_RNA)
where:
Base-Base interactions energy: -280.412
where: short stacking energy: -115.291
Base-Backbone interact. energy: -0.434
local terms energy: -118.341241
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -35.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -403.135880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.135880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.135880 (E_RNA)
where:
Base-Base interactions energy: -286.214
where: short stacking energy: -119.977
Base-Backbone interact. energy: -0.001
local terms energy: -116.921045
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -38.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -397.548330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.548330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.548330 (E_RNA)
where:
Base-Base interactions energy: -281.112
where: short stacking energy: -116.455
Base-Backbone interact. energy: -0.214
local terms energy: -116.222272
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -26.276
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -36.466
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: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -388.350609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.350609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.350609 (E_RNA)
where:
Base-Base interactions energy: -281.321
where: short stacking energy: -117.189
Base-Backbone interact. energy: -0.525
local terms energy: -106.504937
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -13.591
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: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -384.750001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.750001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.750001 (E_RNA)
where:
Base-Base interactions energy: -274.832
where: short stacking energy: -113.086
Base-Backbone interact. energy: -0.093
local terms energy: -109.825109
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -32.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -113.971491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.971491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.971491 (E_RNA)
where:
Base-Base interactions energy: -50.330
where: short stacking energy: -45.466
Base-Backbone interact. energy: 3.533
local terms energy: -67.174152
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -4.342
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: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -110.872186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.872186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.872186 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -32.972
Base-Backbone interact. energy: -0.446
local terms energy: -73.833846
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -425.945243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.945243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.945243 (E_RNA)
where:
Base-Base interactions energy: -297.184
where: short stacking energy: -130.526
Base-Backbone interact. energy: -0.001
local terms energy: -128.759901
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -39.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -413.921759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.921759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.921759 (E_RNA)
where:
Base-Base interactions energy: -293.315
where: short stacking energy: -124.376
Base-Backbone interact. energy: -0.024
local terms energy: -120.583129
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -35.448
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: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -412.988718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.988718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.988718 (E_RNA)
where:
Base-Base interactions energy: -297.798
where: short stacking energy: -123.004
Base-Backbone interact. energy: -0.001
local terms energy: -115.190284
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -35.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -399.880337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.880337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.880337 (E_RNA)
where:
Base-Base interactions energy: -279.963
where: short stacking energy: -117.074
Base-Backbone interact. energy: -0.159
local terms energy: -119.758369
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -34.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -408.416854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.416854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.416854 (E_RNA)
where:
Base-Base interactions energy: -284.699
where: short stacking energy: -117.797
Base-Backbone interact. energy: -0.003
local terms energy: -123.714649
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -36.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -394.701238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.701238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.701238 (E_RNA)
where:
Base-Base interactions energy: -284.047
where: short stacking energy: -113.532
Base-Backbone interact. energy: -0.343
local terms energy: -110.311601
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -35.617
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: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -394.293710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.293710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.293710 (E_RNA)
where:
Base-Base interactions energy: -273.105
where: short stacking energy: -111.771
Base-Backbone interact. energy: -0.840
local terms energy: -120.349425
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -33.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -389.756679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.756679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.756679 (E_RNA)
where:
Base-Base interactions energy: -275.807
where: short stacking energy: -120.228
Base-Backbone interact. energy: 0.181
local terms energy: -114.130441
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -34.834
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: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -107.523682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.523682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.523682 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -29.559
Base-Backbone interact. energy: -0.757
local terms energy: -68.072856
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: 1.358
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: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -99.142339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.142339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.142339 (E_RNA)
where:
Base-Base interactions energy: -48.088
where: short stacking energy: -27.821
Base-Backbone interact. energy: -0.567
local terms energy: -50.487224
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: 3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -412.130633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.130633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.130633 (E_RNA)
where:
Base-Base interactions energy: -292.214
where: short stacking energy: -117.450
Base-Backbone interact. energy: -0.003
local terms energy: -119.913627
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -35.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -407.166943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.166943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.166943 (E_RNA)
where:
Base-Base interactions energy: -281.484
where: short stacking energy: -113.739
Base-Backbone interact. energy: -0.317
local terms energy: -125.366611
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -35.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -412.297817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.297817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.297817 (E_RNA)
where:
Base-Base interactions energy: -287.507
where: short stacking energy: -118.097
Base-Backbone interact. energy: -0.004
local terms energy: -124.786203
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -18.112
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: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -400.304743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.304743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.304743 (E_RNA)
where:
Base-Base interactions energy: -278.726
where: short stacking energy: -112.224
Base-Backbone interact. energy: -0.024
local terms energy: -121.554590
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -391.367207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.367207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.367207 (E_RNA)
where:
Base-Base interactions energy: -272.872
where: short stacking energy: -107.825
Base-Backbone interact. energy: -0.008
local terms energy: -118.486904
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -26.844
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -33.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -385.152447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.152447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.152447 (E_RNA)
where:
Base-Base interactions energy: -276.471
where: short stacking energy: -107.904
Base-Backbone interact. energy: -0.552
local terms energy: -108.129456
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -25.542
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -33.782
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: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -378.570112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.570112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.570112 (E_RNA)
where:
Base-Base interactions energy: -273.905
where: short stacking energy: -112.047
Base-Backbone interact. energy: -0.624
local terms energy: -104.040926
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -34.810
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: 484
Temperature: 1.250000
Total energy: -382.545620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.545620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.545620 (E_RNA)
where:
Base-Base interactions energy: -274.620
where: short stacking energy: -111.173
Base-Backbone interact. energy: -0.041
local terms energy: -107.884932
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -120.333306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.333306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.333306 (E_RNA)
where:
Base-Base interactions energy: -55.889
where: short stacking energy: -29.476
Base-Backbone interact. energy: -0.455
local terms energy: -63.988822
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: 0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -110.818726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.818726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.818726 (E_RNA)
where:
Base-Base interactions energy: -33.273
where: short stacking energy: -33.273
Base-Backbone interact. energy: -0.730
local terms energy: -76.815163
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -419.332102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.332102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.332102 (E_RNA)
where:
Base-Base interactions energy: -294.698
where: short stacking energy: -121.597
Base-Backbone interact. energy: -0.004
local terms energy: -124.629468
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -34.924
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: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -426.782187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.782187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.782187 (E_RNA)
where:
Base-Base interactions energy: -301.272
where: short stacking energy: -120.053
Base-Backbone interact. energy: -0.002
local terms energy: -125.508766
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -36.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -412.075811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.075811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.075811 (E_RNA)
where:
Base-Base interactions energy: -286.037
where: short stacking energy: -118.105
Base-Backbone interact. energy: -0.107
local terms energy: -125.931535
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -35.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -407.038872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.038872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.038872 (E_RNA)
where:
Base-Base interactions energy: -290.765
where: short stacking energy: -122.606
Base-Backbone interact. energy: -0.001
local terms energy: -116.272379
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -36.100
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: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -396.455364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.455364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.455364 (E_RNA)
where:
Base-Base interactions energy: -285.524
where: short stacking energy: -111.777
Base-Backbone interact. energy: -0.022
local terms energy: -110.909284
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -30.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -391.171021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.171021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.171021 (E_RNA)
where:
Base-Base interactions energy: -274.972
where: short stacking energy: -111.422
Base-Backbone interact. energy: -1.698
local terms energy: -114.501516
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -35.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -383.298420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.298420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.298420 (E_RNA)
where:
Base-Base interactions energy: -276.378
where: short stacking energy: -113.883
Base-Backbone interact. energy: -1.263
local terms energy: -105.657098
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -34.710
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: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -385.236516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.236516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.236516 (E_RNA)
where:
Base-Base interactions energy: -280.686
where: short stacking energy: -110.518
Base-Backbone interact. energy: -0.686
local terms energy: -103.864526
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -32.012
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: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -132.644094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.644094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.644094 (E_RNA)
where:
Base-Base interactions energy: -74.403
where: short stacking energy: -44.084
Base-Backbone interact. energy: 0.945
local terms energy: -59.186627
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: 1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -107.668144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.668144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.668144 (E_RNA)
where:
Base-Base interactions energy: -37.298
where: short stacking energy: -27.612
Base-Backbone interact. energy: -1.471
local terms energy: -68.899474
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -423.305620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.305620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.305620 (E_RNA)
where:
Base-Base interactions energy: -297.594
where: short stacking energy: -122.058
Base-Backbone interact. energy: -0.841
local terms energy: -124.870400
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -36.432
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: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -416.071350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.071350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.071350 (E_RNA)
where:
Base-Base interactions energy: -295.046
where: short stacking energy: -120.702
Base-Backbone interact. energy: -0.726
local terms energy: -120.299100
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -25.940
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -34.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -420.057743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.057743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.057743 (E_RNA)
where:
Base-Base interactions energy: -297.548
where: short stacking energy: -117.221
Base-Backbone interact. energy: -0.917
local terms energy: -121.592424
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -32.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -410.545272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.545272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.545272 (E_RNA)
where:
Base-Base interactions energy: -292.310
where: short stacking energy: -120.295
Base-Backbone interact. energy: 0.146
local terms energy: -118.381274
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -35.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -392.690882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.690882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.690882 (E_RNA)
where:
Base-Base interactions energy: -291.714
where: short stacking energy: -115.293
Base-Backbone interact. energy: -0.141
local terms energy: -100.835909
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -32.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -388.151571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.151571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.151571 (E_RNA)
where:
Base-Base interactions energy: -283.325
where: short stacking energy: -114.080
Base-Backbone interact. energy: -0.338
local terms energy: -104.488834
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -35.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -374.021483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.021483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.021483 (E_RNA)
where:
Base-Base interactions energy: -274.871
where: short stacking energy: -107.503
Base-Backbone interact. energy: -1.077
local terms energy: -98.073382
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -33.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -369.146072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.146072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.146072 (E_RNA)
where:
Base-Base interactions energy: -267.382
where: short stacking energy: -105.462
Base-Backbone interact. energy: -0.334
local terms energy: -101.430376
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -32.915
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: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -154.997351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.997351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.997351 (E_RNA)
where:
Base-Base interactions energy: -81.554
where: short stacking energy: -43.466
Base-Backbone interact. energy: -1.287
local terms energy: -72.156668
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -109.534130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.534130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.534130 (E_RNA)
where:
Base-Base interactions energy: -46.440
where: short stacking energy: -41.070
Base-Backbone interact. energy: 0.114
local terms energy: -63.207883
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -419.508612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.508612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.508612 (E_RNA)
where:
Base-Base interactions energy: -292.300
where: short stacking energy: -121.896
Base-Backbone interact. energy: -0.544
local terms energy: -126.665011
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -36.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -413.683322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.683322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.683322 (E_RNA)
where:
Base-Base interactions energy: -292.114
where: short stacking energy: -118.985
Base-Backbone interact. energy: -0.754
local terms energy: -120.815061
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -35.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -410.991837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.991837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.991837 (E_RNA)
where:
Base-Base interactions energy: -285.360
where: short stacking energy: -115.688
Base-Backbone interact. energy: -0.532
local terms energy: -125.100199
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -36.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -403.144586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.144586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.144586 (E_RNA)
where:
Base-Base interactions energy: -281.547
where: short stacking energy: -120.829
Base-Backbone interact. energy: -0.001
local terms energy: -121.596604
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -35.066
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: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -396.553516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.553516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.553516 (E_RNA)
where:
Base-Base interactions energy: -281.146
where: short stacking energy: -113.751
Base-Backbone interact. energy: 0.372
local terms energy: -115.779574
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -34.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -392.716813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.716813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.716813 (E_RNA)
where:
Base-Base interactions energy: -279.461
where: short stacking energy: -114.471
Base-Backbone interact. energy: -0.157
local terms energy: -113.098717
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -30.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -388.974832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.974832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.974832 (E_RNA)
where:
Base-Base interactions energy: -276.776
where: short stacking energy: -110.500
Base-Backbone interact. energy: -0.554
local terms energy: -111.645713
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -34.701
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: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -363.070107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.070107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.070107 (E_RNA)
where:
Base-Base interactions energy: -258.778
where: short stacking energy: -106.562
Base-Backbone interact. energy: -0.015
local terms energy: -104.276526
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -28.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -112.819317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.819317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.819317 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -27.165
Base-Backbone interact. energy: -0.306
local terms energy: -78.392606
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -24.604
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -104.777047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.777047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.777047 (E_RNA)
where:
Base-Base interactions energy: -41.969
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.030
local terms energy: -62.777638
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -3.212
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: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -417.506585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.506585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.506585 (E_RNA)
where:
Base-Base interactions energy: -291.038
where: short stacking energy: -120.336
Base-Backbone interact. energy: -0.387
local terms energy: -126.081523
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -35.432
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: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -418.560857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.560857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.560857 (E_RNA)
where:
Base-Base interactions energy: -296.188
where: short stacking energy: -126.351
Base-Backbone interact. energy: 0.544
local terms energy: -122.916830
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -26.772
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -409.472008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.472008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.472008 (E_RNA)
where:
Base-Base interactions energy: -288.136
where: short stacking energy: -118.160
Base-Backbone interact. energy: -0.002
local terms energy: -121.334494
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -34.265
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: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -415.151064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.151064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.151064 (E_RNA)
where:
Base-Base interactions energy: -293.149
where: short stacking energy: -123.094
Base-Backbone interact. energy: -0.000
local terms energy: -122.002026
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -38.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -405.575386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.575386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.575386 (E_RNA)
where:
Base-Base interactions energy: -289.721
where: short stacking energy: -109.722
Base-Backbone interact. energy: -0.513
local terms energy: -115.341452
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -26.719
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -30.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -391.215834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.215834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.215834 (E_RNA)
where:
Base-Base interactions energy: -284.414
where: short stacking energy: -119.028
Base-Backbone interact. energy: -0.883
local terms energy: -105.919156
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -34.088
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: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -388.082035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.082035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.082035 (E_RNA)
where:
Base-Base interactions energy: -277.060
where: short stacking energy: -118.614
Base-Backbone interact. energy: -0.012
local terms energy: -111.010406
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -34.835
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: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -374.573204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.573204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.573204 (E_RNA)
where:
Base-Base interactions energy: -276.824
where: short stacking energy: -112.541
Base-Backbone interact. energy: -0.241
local terms energy: -97.507775
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -24.530
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -32.231
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: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -107.179820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.179820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.179820 (E_RNA)
where:
Base-Base interactions energy: -38.825
where: short stacking energy: -35.436
Base-Backbone interact. energy: -0.138
local terms energy: -68.216946
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: 1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -114.185026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.185026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.185026 (E_RNA)
where:
Base-Base interactions energy: -49.160
where: short stacking energy: -39.951
Base-Backbone interact. energy: 0.310
local terms energy: -65.335201
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -419.238270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.238270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.238270 (E_RNA)
where:
Base-Base interactions energy: -293.523
where: short stacking energy: -121.665
Base-Backbone interact. energy: -0.166
local terms energy: -125.548766
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -37.693
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: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -424.197562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.197562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.197562 (E_RNA)
where:
Base-Base interactions energy: -301.593
where: short stacking energy: -123.264
Base-Backbone interact. energy: -0.091
local terms energy: -122.513796
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -33.178
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: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -405.200682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.200682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.200682 (E_RNA)
where:
Base-Base interactions energy: -291.483
where: short stacking energy: -117.187
Base-Backbone interact. energy: -0.073
local terms energy: -113.644651
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -35.017
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: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -400.010614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.010614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.010614 (E_RNA)
where:
Base-Base interactions energy: -284.980
where: short stacking energy: -115.338
Base-Backbone interact. energy: -0.528
local terms energy: -114.502759
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -33.071
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: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -401.400152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.400152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.400152 (E_RNA)
where:
Base-Base interactions energy: -290.529
where: short stacking energy: -120.411
Base-Backbone interact. energy: -0.010
local terms energy: -110.861040
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -12.454
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: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -397.442986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.442986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.442986 (E_RNA)
where:
Base-Base interactions energy: -285.931
where: short stacking energy: -118.284
Base-Backbone interact. energy: -0.036
local terms energy: -111.475243
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -33.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -394.257296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.257296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.257296 (E_RNA)
where:
Base-Base interactions energy: -280.105
where: short stacking energy: -111.582
Base-Backbone interact. energy: -1.048
local terms energy: -113.104215
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -35.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -364.651357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.651357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.651357 (E_RNA)
where:
Base-Base interactions energy: -256.159
where: short stacking energy: -98.161
Base-Backbone interact. energy: -0.449
local terms energy: -108.042893
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -32.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -118.189863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.189863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.189863 (E_RNA)
where:
Base-Base interactions energy: -44.765
where: short stacking energy: -39.448
Base-Backbone interact. energy: -1.042
local terms energy: -72.382879
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -8.434
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: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -103.482940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.482940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.482940 (E_RNA)
where:
Base-Base interactions energy: -42.268
where: short stacking energy: -35.462
Base-Backbone interact. energy: -0.094
local terms energy: -61.120541
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -5.649
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: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -417.369923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.369923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.369923 (E_RNA)
where:
Base-Base interactions energy: -289.810
where: short stacking energy: -120.957
Base-Backbone interact. energy: -0.024
local terms energy: -127.536203
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -37.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -432.822262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.822262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.822262 (E_RNA)
where:
Base-Base interactions energy: -303.367
where: short stacking energy: -126.041
Base-Backbone interact. energy: -0.001
local terms energy: -129.454215
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -36.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -404.696819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.696819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.696819 (E_RNA)
where:
Base-Base interactions energy: -291.597
where: short stacking energy: -118.477
Base-Backbone interact. energy: -0.602
local terms energy: -112.497708
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -36.197
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: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -405.755469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.755469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.755469 (E_RNA)
where:
Base-Base interactions energy: -288.393
where: short stacking energy: -117.392
Base-Backbone interact. energy: -0.002
local terms energy: -117.360578
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -403.421182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.421182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.421182 (E_RNA)
where:
Base-Base interactions energy: -280.894
where: short stacking energy: -112.472
Base-Backbone interact. energy: -0.281
local terms energy: -122.246161
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -37.795
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: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -395.540757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.540757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.540757 (E_RNA)
where:
Base-Base interactions energy: -276.525
where: short stacking energy: -114.434
Base-Backbone interact. energy: -0.287
local terms energy: -118.728554
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -34.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -378.177676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.177676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.177676 (E_RNA)
where:
Base-Base interactions energy: -274.391
where: short stacking energy: -104.483
Base-Backbone interact. energy: -0.696
local terms energy: -103.090653
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -35.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -386.539263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.539263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.539263 (E_RNA)
where:
Base-Base interactions energy: -285.348
where: short stacking energy: -111.002
Base-Backbone interact. energy: -0.090
local terms energy: -101.101395
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -32.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -113.393119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.393119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.393119 (E_RNA)
where:
Base-Base interactions energy: -40.168
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.604
local terms energy: -72.621152
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -95.503623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.503623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.503623 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -27.397
Base-Backbone interact. energy: -1.114
local terms energy: -57.255050
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: 5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -412.935582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.935582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.935582 (E_RNA)
where:
Base-Base interactions energy: -292.149
where: short stacking energy: -121.859
Base-Backbone interact. energy: -0.085
local terms energy: -120.701904
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -37.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -411.667976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.667976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.667976 (E_RNA)
where:
Base-Base interactions energy: -289.396
where: short stacking energy: -119.670
Base-Backbone interact. energy: -0.216
local terms energy: -122.056390
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -35.356
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: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -412.567980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.567980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.567980 (E_RNA)
where:
Base-Base interactions energy: -294.075
where: short stacking energy: -119.670
Base-Backbone interact. energy: -0.425
local terms energy: -118.068640
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -16.776
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: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -411.815775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.815775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.815775 (E_RNA)
where:
Base-Base interactions energy: -295.900
where: short stacking energy: -123.425
Base-Backbone interact. energy: -0.212
local terms energy: -115.703779
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -36.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -392.642611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.642611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.642611 (E_RNA)
where:
Base-Base interactions energy: -275.394
where: short stacking energy: -112.986
Base-Backbone interact. energy: -0.793
local terms energy: -116.455568
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -32.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -393.920944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.920944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.920944 (E_RNA)
where:
Base-Base interactions energy: -280.525
where: short stacking energy: -113.138
Base-Backbone interact. energy: -0.197
local terms energy: -113.198932
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -34.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -383.747197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.747197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.747197 (E_RNA)
where:
Base-Base interactions energy: -268.516
where: short stacking energy: -106.867
Base-Backbone interact. energy: -0.003
local terms energy: -115.228206
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -31.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -380.953786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.953786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.953786 (E_RNA)
where:
Base-Base interactions energy: -273.243
where: short stacking energy: -110.223
Base-Backbone interact. energy: -0.081
local terms energy: -107.630157
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -15.063
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: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -119.558117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.558117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.558117 (E_RNA)
where:
Base-Base interactions energy: -47.076
where: short stacking energy: -33.800
Base-Backbone interact. energy: 3.265
local terms energy: -75.746582
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -5.424
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: 491
Temperature: 1.350000
Total energy: -101.774126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.774126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.774126 (E_RNA)
where:
Base-Base interactions energy: -35.013
where: short stacking energy: -32.918
Base-Backbone interact. energy: 1.696
local terms energy: -68.457554
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -9.141
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: 492
Temperature: 0.900000
Total energy: -418.585325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.585325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.585325 (E_RNA)
where:
Base-Base interactions energy: -294.569
where: short stacking energy: -122.312
Base-Backbone interact. energy: -0.827
local terms energy: -123.190213
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -33.816
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: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -418.471280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.471280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.471280 (E_RNA)
where:
Base-Base interactions energy: -298.782
where: short stacking energy: -125.770
Base-Backbone interact. energy: -0.633
local terms energy: -119.056583
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -34.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -404.966362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.966362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.966362 (E_RNA)
where:
Base-Base interactions energy: -297.061
where: short stacking energy: -120.283
Base-Backbone interact. energy: -0.037
local terms energy: -107.869085
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -34.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -405.971436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.971436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.971436 (E_RNA)
where:
Base-Base interactions energy: -288.939
where: short stacking energy: -117.557
Base-Backbone interact. energy: -0.459
local terms energy: -116.573282
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -34.291
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: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -397.494664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.494664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.494664 (E_RNA)
where:
Base-Base interactions energy: -289.436
where: short stacking energy: -116.949
Base-Backbone interact. energy: -0.002
local terms energy: -108.057351
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -389.707919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.707919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.707919 (E_RNA)
where:
Base-Base interactions energy: -277.965
where: short stacking energy: -117.572
Base-Backbone interact. energy: -0.283
local terms energy: -111.460223
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -34.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -390.353182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.353182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.353182 (E_RNA)
where:
Base-Base interactions energy: -276.768
where: short stacking energy: -108.821
Base-Backbone interact. energy: 1.844
local terms energy: -115.429478
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -34.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -388.344927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.344927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.344927 (E_RNA)
where:
Base-Base interactions energy: -276.240
where: short stacking energy: -114.628
Base-Backbone interact. energy: 2.035
local terms energy: -114.139589
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -33.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -107.862653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.862653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.862653 (E_RNA)
where:
Base-Base interactions energy: -39.384
where: short stacking energy: -33.005
Base-Backbone interact. energy: -0.487
local terms energy: -67.991698
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -114.742739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.742739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.742739 (E_RNA)
where:
Base-Base interactions energy: -44.531
where: short stacking energy: -41.640
Base-Backbone interact. energy: 4.793
local terms energy: -75.005146
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -420.408331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.408331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.408331 (E_RNA)
where:
Base-Base interactions energy: -292.731
where: short stacking energy: -121.692
Base-Backbone interact. energy: -0.420
local terms energy: -127.257894
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -33.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -419.961013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.961013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.961013 (E_RNA)
where:
Base-Base interactions energy: -296.493
where: short stacking energy: -121.639
Base-Backbone interact. energy: 0.129
local terms energy: -123.596143
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -24.230
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -35.050
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: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -409.420548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.420548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.420548 (E_RNA)
where:
Base-Base interactions energy: -284.842
where: short stacking energy: -113.924
Base-Backbone interact. energy: -0.928
local terms energy: -123.650982
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -36.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -403.208567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.208567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.208567 (E_RNA)
where:
Base-Base interactions energy: -289.791
where: short stacking energy: -115.613
Base-Backbone interact. energy: 0.154
local terms energy: -113.572384
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -34.145
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: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -399.917789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.917789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.917789 (E_RNA)
where:
Base-Base interactions energy: -282.602
where: short stacking energy: -112.642
Base-Backbone interact. energy: 0.707
local terms energy: -118.022011
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -33.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -394.444905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.444905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.444905 (E_RNA)
where:
Base-Base interactions energy: -285.282
where: short stacking energy: -115.509
Base-Backbone interact. energy: 0.986
local terms energy: -110.149283
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -35.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -386.257573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.257573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.257573 (E_RNA)
where:
Base-Base interactions energy: -280.209
where: short stacking energy: -111.550
Base-Backbone interact. energy: -0.630
local terms energy: -105.417946
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -31.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -382.873830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.873830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.873830 (E_RNA)
where:
Base-Base interactions energy: -273.388
where: short stacking energy: -108.435
Base-Backbone interact. energy: 0.167
local terms energy: -109.653322
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -33.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -135.229355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.229355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.229355 (E_RNA)
where:
Base-Base interactions energy: -59.032
where: short stacking energy: -54.389
Base-Backbone interact. energy: -1.863
local terms energy: -74.334097
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -112.992134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.992134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.992134 (E_RNA)
where:
Base-Base interactions energy: -54.505
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.918
local terms energy: -57.569275
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -1.976
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: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -418.108273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.108273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.108273 (E_RNA)
where:
Base-Base interactions energy: -292.447
where: short stacking energy: -121.262
Base-Backbone interact. energy: -0.167
local terms energy: -125.495050
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -18.318
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: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -418.490685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.490685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.490685 (E_RNA)
where:
Base-Base interactions energy: -300.124
where: short stacking energy: -120.202
Base-Backbone interact. energy: -0.444
local terms energy: -117.923417
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -20.029
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: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -408.015934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.015934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.015934 (E_RNA)
where:
Base-Base interactions energy: -292.731
where: short stacking energy: -119.608
Base-Backbone interact. energy: -0.436
local terms energy: -114.848910
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -17.982
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: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -404.184142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.184142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.184142 (E_RNA)
where:
Base-Base interactions energy: -287.083
where: short stacking energy: -118.413
Base-Backbone interact. energy: -0.250
local terms energy: -116.851401
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -23.745
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -36.182
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: 494
Temperature: 1.100000
Total energy: -398.068271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.068271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.068271 (E_RNA)
where:
Base-Base interactions energy: -285.138
where: short stacking energy: -119.544
Base-Backbone interact. energy: -0.515
local terms energy: -112.414788
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -35.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -395.260064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.260064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.260064 (E_RNA)
where:
Base-Base interactions energy: -280.700
where: short stacking energy: -115.679
Base-Backbone interact. energy: -0.022
local terms energy: -114.537849
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -20.159
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -391.017817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.017817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.017817 (E_RNA)
where:
Base-Base interactions energy: -278.885
where: short stacking energy: -120.330
Base-Backbone interact. energy: -0.036
local terms energy: -112.097276
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -32.827
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: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -371.307624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.307624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.307624 (E_RNA)
where:
Base-Base interactions energy: -264.525
where: short stacking energy: -105.571
Base-Backbone interact. energy: -0.408
local terms energy: -106.374984
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -29.180
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: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -115.922746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.922746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.922746 (E_RNA)
where:
Base-Base interactions energy: -49.300
where: short stacking energy: -35.090
Base-Backbone interact. energy: 0.140
local terms energy: -66.762301
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: 1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -117.870870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.870870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.870870 (E_RNA)
where:
Base-Base interactions energy: -47.913
where: short stacking energy: -47.578
Base-Backbone interact. energy: 0.294
local terms energy: -70.251602
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -414.815501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.815501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.815501 (E_RNA)
where:
Base-Base interactions energy: -289.139
where: short stacking energy: -116.778
Base-Backbone interact. energy: -0.004
local terms energy: -125.672111
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -18.669
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: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -422.270141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.270141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.270141 (E_RNA)
where:
Base-Base interactions energy: -297.667
where: short stacking energy: -119.759
Base-Backbone interact. energy: -0.002
local terms energy: -124.601747
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -38.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -413.211276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.211276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.211276 (E_RNA)
where:
Base-Base interactions energy: -292.768
where: short stacking energy: -123.737
Base-Backbone interact. energy: -0.008
local terms energy: -120.435851
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -19.347
tors. eta vs tors. theta energy: -37.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -406.546499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.546499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.546499 (E_RNA)
where:
Base-Base interactions energy: -286.625
where: short stacking energy: -115.765
Base-Backbone interact. energy: -1.291
local terms energy: -118.630513
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -16.856
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: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -399.059725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.059725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.059725 (E_RNA)
where:
Base-Base interactions energy: -281.651
where: short stacking energy: -111.002
Base-Backbone interact. energy: -0.010
local terms energy: -117.398504
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -33.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -399.541731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.541731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.541731 (E_RNA)
where:
Base-Base interactions energy: -283.024
where: short stacking energy: -116.156
Base-Backbone interact. energy: -0.112
local terms energy: -116.406230
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -34.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -379.451938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.451938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.451938 (E_RNA)
where:
Base-Base interactions energy: -270.739
where: short stacking energy: -104.039
Base-Backbone interact. energy: -0.141
local terms energy: -108.572217
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -30.811
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: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -383.106681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.106681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.106681 (E_RNA)
where:
Base-Base interactions energy: -274.318
where: short stacking energy: -111.707
Base-Backbone interact. energy: 0.194
local terms energy: -108.982721
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -33.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -117.891857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.891857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.891857 (E_RNA)
where:
Base-Base interactions energy: -45.166
where: short stacking energy: -21.842
Base-Backbone interact. energy: 0.676
local terms energy: -73.401873
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -103.324272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.324272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.324272 (E_RNA)
where:
Base-Base interactions energy: -45.029
where: short stacking energy: -34.680
Base-Backbone interact. energy: -0.038
local terms energy: -58.257816
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: 4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -419.989877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.989877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.989877 (E_RNA)
where:
Base-Base interactions energy: -295.180
where: short stacking energy: -119.170
Base-Backbone interact. energy: -0.000
local terms energy: -124.809353
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -35.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -416.869748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.869748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.869748 (E_RNA)
where:
Base-Base interactions energy: -296.342
where: short stacking energy: -121.203
Base-Backbone interact. energy: -0.399
local terms energy: -120.128333
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -36.247
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: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -415.242173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.242173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.242173 (E_RNA)
where:
Base-Base interactions energy: -287.258
where: short stacking energy: -118.211
Base-Backbone interact. energy: -0.258
local terms energy: -127.725586
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -37.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -405.963884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.963884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.963884 (E_RNA)
where:
Base-Base interactions energy: -285.842
where: short stacking energy: -124.312
Base-Backbone interact. energy: -0.131
local terms energy: -119.991570
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -37.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -402.290329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.290329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.290329 (E_RNA)
where:
Base-Base interactions energy: -278.507
where: short stacking energy: -111.031
Base-Backbone interact. energy: -0.578
local terms energy: -123.205969
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -26.392
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -34.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -394.553980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.553980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.553980 (E_RNA)
where:
Base-Base interactions energy: -284.001
where: short stacking energy: -114.867
Base-Backbone interact. energy: -0.074
local terms energy: -110.478576
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -32.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -391.535929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.535929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.535929 (E_RNA)
where:
Base-Base interactions energy: -273.376
where: short stacking energy: -107.608
Base-Backbone interact. energy: -0.165
local terms energy: -117.994808
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -32.680
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: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -376.026771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.026771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.026771 (E_RNA)
where:
Base-Base interactions energy: -268.917
where: short stacking energy: -114.068
Base-Backbone interact. energy: -0.534
local terms energy: -106.575954
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -30.108
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: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -108.399932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.399932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.399932 (E_RNA)
where:
Base-Base interactions energy: -47.052
where: short stacking energy: -23.421
Base-Backbone interact. energy: -1.929
local terms energy: -59.419601
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: 2.412
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: 10, replica: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -103.892133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.892133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.892133 (E_RNA)
where:
Base-Base interactions energy: -36.027
where: short stacking energy: -34.906
Base-Backbone interact. energy: -0.281
local terms energy: -67.584454
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -425.410217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.410217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.410217 (E_RNA)
where:
Base-Base interactions energy: -302.068
where: short stacking energy: -130.397
Base-Backbone interact. energy: -0.576
local terms energy: -122.766084
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -38.460
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: 497
Temperature: 0.950000
Total energy: -424.999863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.999863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.999863 (E_RNA)
where:
Base-Base interactions energy: -298.884
where: short stacking energy: -121.636
Base-Backbone interact. energy: -0.042
local terms energy: -126.074544
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -36.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -414.728354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.728354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.728354 (E_RNA)
where:
Base-Base interactions energy: -291.013
where: short stacking energy: -123.861
Base-Backbone interact. energy: -0.298
local terms energy: -123.416776
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -34.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -400.412307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.412307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.412307 (E_RNA)
where:
Base-Base interactions energy: -283.420
where: short stacking energy: -111.667
Base-Backbone interact. energy: -0.211
local terms energy: -116.781469
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -33.649
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: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -401.504940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.504940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.504940 (E_RNA)
where:
Base-Base interactions energy: -283.334
where: short stacking energy: -118.847
Base-Backbone interact. energy: -0.211
local terms energy: -117.959987
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -401.454956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.454956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.454956 (E_RNA)
where:
Base-Base interactions energy: -287.709
where: short stacking energy: -117.243
Base-Backbone interact. energy: 2.434
local terms energy: -116.180500
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -34.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -384.768838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.768838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.768838 (E_RNA)
where:
Base-Base interactions energy: -277.281
where: short stacking energy: -110.284
Base-Backbone interact. energy: -0.144
local terms energy: -107.343689
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -32.701
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: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -384.671054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.671054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.671054 (E_RNA)
where:
Base-Base interactions energy: -277.411
where: short stacking energy: -117.687
Base-Backbone interact. energy: -0.636
local terms energy: -106.624238
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -35.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -127.240244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.240244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.240244 (E_RNA)
where:
Base-Base interactions energy: -64.065
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.180
local terms energy: -62.994845
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -110.915959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.915959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.915959 (E_RNA)
where:
Base-Base interactions energy: -42.027
where: short stacking energy: -35.140
Base-Backbone interact. energy: 0.465
local terms energy: -69.354126
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -4.811
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: 1, replica: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -424.303341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.303341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.303341 (E_RNA)
where:
Base-Base interactions energy: -298.341
where: short stacking energy: -125.328
Base-Backbone interact. energy: -0.001
local terms energy: -125.961055
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -36.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -422.411598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.411598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.411598 (E_RNA)
where:
Base-Base interactions energy: -293.390
where: short stacking energy: -123.539
Base-Backbone interact. energy: -0.723
local terms energy: -128.299189
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -38.169
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: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -411.004588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.004588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.004588 (E_RNA)
where:
Base-Base interactions energy: -294.487
where: short stacking energy: -119.121
Base-Backbone interact. energy: -0.023
local terms energy: -116.494202
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -32.671
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: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -407.095359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.095359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.095359 (E_RNA)
where:
Base-Base interactions energy: -286.953
where: short stacking energy: -112.064
Base-Backbone interact. energy: 1.046
local terms energy: -121.188216
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -34.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -393.168829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.168829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.168829 (E_RNA)
where:
Base-Base interactions energy: -278.666
where: short stacking energy: -114.785
Base-Backbone interact. energy: -0.380
local terms energy: -114.122825
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -32.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -395.899138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.899138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.899138 (E_RNA)
where:
Base-Base interactions energy: -288.234
where: short stacking energy: -116.714
Base-Backbone interact. energy: -0.001
local terms energy: -107.664277
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -34.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -390.985671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.985671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.985671 (E_RNA)
where:
Base-Base interactions energy: -272.186
where: short stacking energy: -109.647
Base-Backbone interact. energy: -0.540
local terms energy: -118.258951
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -31.043
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: 498
Temperature: 1.250000
Total energy: -370.592317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.592317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.592317 (E_RNA)
where:
Base-Base interactions energy: -264.652
where: short stacking energy: -115.689
Base-Backbone interact. energy: -0.083
local terms energy: -105.857143
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -33.106
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: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -119.915495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.915495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.915495 (E_RNA)
where:
Base-Base interactions energy: -63.408
where: short stacking energy: -32.664
Base-Backbone interact. energy: 0.060
local terms energy: -56.566575
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 1.760
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: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -107.612230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.612230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.612230 (E_RNA)
where:
Base-Base interactions energy: -28.749
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.689
local terms energy: -78.173329
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -421.425046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.425046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.425046 (E_RNA)
where:
Base-Base interactions energy: -294.969
where: short stacking energy: -128.532
Base-Backbone interact. energy: -0.998
local terms energy: -125.457798
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -35.304
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: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -425.793432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.793432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.793432 (E_RNA)
where:
Base-Base interactions energy: -305.595
where: short stacking energy: -122.770
Base-Backbone interact. energy: 0.431
local terms energy: -120.628866
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -18.333
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: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -414.439095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.439095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.439095 (E_RNA)
where:
Base-Base interactions energy: -288.441
where: short stacking energy: -119.531
Base-Backbone interact. energy: -0.306
local terms energy: -125.691660
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -38.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -402.243428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.243428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.243428 (E_RNA)
where:
Base-Base interactions energy: -284.888
where: short stacking energy: -117.558
Base-Backbone interact. energy: -0.077
local terms energy: -117.278915
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -31.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -388.353385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.353385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.353385 (E_RNA)
where:
Base-Base interactions energy: -279.368
where: short stacking energy: -113.918
Base-Backbone interact. energy: -0.858
local terms energy: -108.126792
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -32.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -391.947126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.947126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.947126 (E_RNA)
where:
Base-Base interactions energy: -278.938
where: short stacking energy: -113.884
Base-Backbone interact. energy: -0.021
local terms energy: -112.988162
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -35.093
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: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -389.995459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.995459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.995459 (E_RNA)
where:
Base-Base interactions energy: -275.767
where: short stacking energy: -118.801
Base-Backbone interact. energy: -0.420
local terms energy: -113.808265
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -35.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -372.916023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.916023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.916023 (E_RNA)
where:
Base-Base interactions energy: -255.725
where: short stacking energy: -111.328
Base-Backbone interact. energy: -0.000
local terms energy: -117.190479
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -35.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -108.647849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.647849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.647849 (E_RNA)
where:
Base-Base interactions energy: -41.360
where: short stacking energy: -30.103
Base-Backbone interact. energy: 0.980
local terms energy: -68.267558
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: 2.501
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: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -110.594724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.594724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.594724 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.333
local terms energy: -75.781480
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -421.292790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.292790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.292790 (E_RNA)
where:
Base-Base interactions energy: -297.697
where: short stacking energy: -122.428
Base-Backbone interact. energy: -0.001
local terms energy: -123.594772
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -18.032
tors. eta vs tors. theta energy: -35.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -417.888671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.888671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.888671 (E_RNA)
where:
Base-Base interactions energy: -299.702
where: short stacking energy: -127.545
Base-Backbone interact. energy: -0.001
local terms energy: -118.185522
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -37.394
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: 3, replica: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -413.671502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.671502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.671502 (E_RNA)
where:
Base-Base interactions energy: -289.369
where: short stacking energy: -118.683
Base-Backbone interact. energy: -0.481
local terms energy: -123.821250
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -33.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -401.963997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.963997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.963997 (E_RNA)
where:
Base-Base interactions energy: -282.047
where: short stacking energy: -112.168
Base-Backbone interact. energy: -0.018
local terms energy: -119.898967
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -33.089
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: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -403.325134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.325134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.325134 (E_RNA)
where:
Base-Base interactions energy: -284.180
where: short stacking energy: -114.041
Base-Backbone interact. energy: -0.158
local terms energy: -118.987542
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -37.698
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: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -389.211167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.211167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.211167 (E_RNA)
where:
Base-Base interactions energy: -285.037
where: short stacking energy: -117.514
Base-Backbone interact. energy: 0.177
local terms energy: -104.351183
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -34.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -385.382114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.382114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.382114 (E_RNA)
where:
Base-Base interactions energy: -282.724
where: short stacking energy: -112.136
Base-Backbone interact. energy: -1.072
local terms energy: -101.586671
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -32.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -397.930792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.930792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.930792 (E_RNA)
where:
Base-Base interactions energy: -280.486
where: short stacking energy: -117.875
Base-Backbone interact. energy: -0.162
local terms energy: -117.282425
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -36.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -101.308838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.308838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.308838 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -37.523
Base-Backbone interact. energy: -0.124
local terms energy: -63.277976
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -100.777953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.777953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.777953 (E_RNA)
where:
Base-Base interactions energy: -37.202
where: short stacking energy: -19.920
Base-Backbone interact. energy: -1.509
local terms energy: -62.067928
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: 5.246
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)
out arg RESULTS//1/2LUP_RNAonly_SimRNA-7e9e22b2_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -427.087079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.087079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.087079 (E_RNA)
where:
Base-Base interactions energy: -298.716
where: short stacking energy: -115.622
Base-Backbone interact. energy: -0.034
local terms energy: -128.336286
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -37.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -415.112594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.112594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.112594 (E_RNA)
where:
Base-Base interactions energy: -298.334
where: short stacking energy: -119.432
Base-Backbone interact. energy: -0.044
local terms energy: -116.733986
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -37.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -413.299945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.299945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.299945 (E_RNA)
where:
Base-Base interactions energy: -290.676
where: short stacking energy: -120.099
Base-Backbone interact. energy: -0.010
local terms energy: -122.613181
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -33.693
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: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -406.023836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.023836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.023836 (E_RNA)
where:
Base-Base interactions energy: -292.238
where: short stacking energy: -115.534
Base-Backbone interact. energy: -0.005
local terms energy: -113.781252
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -36.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -396.518919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.518919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.518919 (E_RNA)
where:
Base-Base interactions energy: -277.843
where: short stacking energy: -113.294
Base-Backbone interact. energy: -0.734
local terms energy: -117.942035
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -35.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -390.720597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.720597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.720597 (E_RNA)
where:
Base-Base interactions energy: -280.761
where: short stacking energy: -113.438
Base-Backbone interact. energy: 1.503
local terms energy: -111.462510
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -12.959
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: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -385.391837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.391837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.391837 (E_RNA)
where:
Base-Base interactions energy: -283.183
where: short stacking energy: -112.343
Base-Backbone interact. energy: -0.434
local terms energy: -101.775519
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -32.474
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: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -393.742646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.742646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.742646 (E_RNA)
where:
Base-Base interactions energy: -271.223
where: short stacking energy: -111.836
Base-Backbone interact. energy: -0.048
local terms energy: -122.472320
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -25.386
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -36.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -121.160175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.160175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.160175 (E_RNA)
where:
Base-Base interactions energy: -48.162
where: short stacking energy: -37.453
Base-Backbone interact. energy: 0.358
local terms energy: -73.356571
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -6.230
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: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -106.301388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.301388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.301388 (E_RNA)
where:
Base-Base interactions energy: -44.991
where: short stacking energy: -37.057
Base-Backbone interact. energy: 0.808
local terms energy: -62.118718
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -1.903
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)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 13674481
moves confirmed later: 14674292
all moves confirmed: 28348773
percent of confirmed moves: 3.543597
current total energy: -389.003333
recalc. total energy: -389.003333
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 17324490
moves confirmed later: 19488867
all moves confirmed: 36813357
percent of confirmed moves: 4.601670
current total energy: -387.113572
recalc. total energy: -387.113572
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 13044798
moves confirmed later: 13897924
all moves confirmed: 26942722
percent of confirmed moves: 3.367840
current total energy: -370.705408
recalc. total energy: -370.705408
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 12943238
moves confirmed later: 13775120
all moves confirmed: 26718358
percent of confirmed moves: 3.339795
current total energy: -350.009988
recalc. total energy: -350.009988
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 13714906
moves confirmed later: 14778681
all moves confirmed: 28493587
percent of confirmed moves: 3.561698
current total energy: -382.826976
recalc. total energy: -382.826976
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 21639373
moves confirmed later: 25045115
all moves confirmed: 46684488
percent of confirmed moves: 5.835561
current total energy: -340.741642
recalc. total energy: -340.741642
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 13873204
moves confirmed later: 14949789
all moves confirmed: 28822993
percent of confirmed moves: 3.602874
current total energy: -304.865328
recalc. total energy: -304.865328
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 17502239
moves confirmed later: 19704222
all moves confirmed: 37206461
percent of confirmed moves: 4.650808
current total energy: -318.755032
recalc. total energy: -318.755032
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 37749313
moves confirmed later: 45945577
all moves confirmed: 83694890
percent of confirmed moves: 10.461861
current total energy: -43.062303
recalc. total energy: -43.062303
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 38236460
moves confirmed later: 46572963
all moves confirmed: 84809423
percent of confirmed moves: 10.601178
current total energy: -60.498278
recalc. total energy: -60.498278
Time of doing 8000000 iterations: 3614.372 seconds